4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine

C181H217N31O8 — CID 159539533

IUPAC4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine
SMILESC=C1CCCN1c1ccc(Nc2cc(NCc3cccc(CC)c3)c(C)cn2)c(OC)c1.C=C1CCc2cc(Nc3cc(NCc4cccc(CC)c4)c(C)cn3)ccc2N1.CCc1cccc(CNc2cc(Nc3ccc(C(=O)N4CCCCC4)cc3OC)ncc2C)c1.CCc1cccc(CNc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1C.COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccc2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2cccnc2)c(C)cn1
InChIInChI=1S/C28H34N4O2.C27H32N4O.C27H34N4O.C26H32N6O2.C25H30N4O.C25H28N4.C23H27N5O/c1-4-21-9-8-10-22(15-21)19-29-25-17-27(30-18-20(25)2)31-24-12-11-23(16-26(24)34-3)28(33)32-13-6-5-7-14-32;1-5-21-9-6-10-22(14-21)18-28-25-16-27(29-17-19(25)2)30-24-12-11-23(15-26(24)32-4)31-13-7-8-20(31)3;1-4-21-9-8-10-22(15-21)19-28-25-17-27(29-18-20(25)2)30-24-12-11-23(16-26(24)32-3)31-13-6-5-7-14-31;1-18-17-28-25(16-23(18)29-21-8-6-5-7-20(21)26(33)27-2)30-22-10-9-19(15-24(22)34-4)32-13-11-31(3)12-14-32;1-19-17-27-25(16-23(19)26-18-20-9-5-3-6-10-20)28-22-12-11-21(15-24(22)30-2)29-13-7-4-8-14-29;1-4-19-6-5-7-20(12-19)16-26-24-14-25(27-15-17(24)2)29-22-10-11-23-21(13-22)9-8-18(3)28-23;1-17-15-25-23(14-21(17)26-18-7-6-10-24-16-18)27-20-9-8-19(13-22(20)29-2)28-11-4-3-5-12-28/h8-12,15-18H,4-7,13-14,19H2,1-3H3,(H2,29,30,31);6,9-12,14-17H,3,5,7-8,13,18H2,1-2,4H3,(H2,28,29,30);8-12,15-18H,4-7,13-14,19H2,1-3H3,(H2,28,29,30);5-10,15-17H,11-14H2,1-4H3,(H,27,33)(H2,28,29,30);3,5-6,9-12,15-17H,4,7-8,13-14,18H2,1-2H3,(H2,26,27,28);5-7,10-15,28H,3-4,8-9,16H2,1-2H3,(H2,26,27,29);6-10,13-16H,3-5,11-12H2,1-2H3,(H2,25,26,27)
InChIKeyMEAHHCPUEHUDOT-UHFFFAOYSA-N
MW2954.94 g/mol
LogP39.87
Rot. Bonds50

About 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine

4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine (PubChem CID 159539533) has the molecular formula C181H217N31O8 and a molecular weight of 2954.94 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine
PubChem CID159539533
Molecular FormulaC181H217N31O8
Molecular Weight2954.94 g/mol
Exact Mass2952.75
IUPAC Name4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine
SMILESC=C1CCCN1c1ccc(Nc2cc(NCc3cccc(CC)c3)c(C)cn2)c(OC)c1.C=C1CCc2cc(Nc3cc(NCc4cccc(CC)c4)c(C)cn3)ccc2N1.CCc1cccc(CNc2cc(Nc3ccc(C(=O)N4CCCCC4)cc3OC)ncc2C)c1.CCc1cccc(CNc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1C.COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccc2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2cccnc2)c(C)cn1
InChIInChI=1S/C28H34N4O2.C27H32N4O.C27H34N4O.C26H32N6O2.C25H30N4O.C25H28N4.C23H27N5O/c1-4-21-9-8-10-22(15-21)19-29-25-17-27(30-18-20(25)2)31-24-12-11-23(16-26(24)34-3)28(33)32-13-6-5-7-14-32;1-5-21-9-6-10-22(14-21)18-28-25-16-27(29-17-19(25)2)30-24-12-11-23(15-26(24)32-4)31-13-7-8-20(31)3;1-4-21-9-8-10-22(15-21)19-28-25-17-27(29-18-20(25)2)30-24-12-11-23(16-26(24)32-3)31-13-6-5-7-14-31;1-18-17-28-25(16-23(18)29-21-8-6-5-7-20(21)26(33)27-2)30-22-10-9-19(15-24(22)34-4)32-13-11-31(3)12-14-32;1-19-17-27-25(16-23(19)26-18-20-9-5-3-6-10-20)28-22-12-11-21(15-24(22)30-2)29-13-7-4-8-14-29;1-4-19-6-5-7-20(12-19)16-26-24-14-25(27-15-17(24)2)29-22-10-11-23-21(13-22)9-8-18(3)28-23;1-17-15-25-23(14-21(17)26-18-7-6-10-24-16-18)27-20-9-8-19(13-22(20)29-2)28-11-4-3-5-12-28/h8-12,15-18H,4-7,13-14,19H2,1-3H3,(H2,29,30,31);6,9-12,14-17H,3,5,7-8,13,18H2,1-2,4H3,(H2,28,29,30);8-12,15-18H,4-7,13-14,19H2,1-3H3,(H2,28,29,30);5-10,15-17H,11-14H2,1-4H3,(H,27,33)(H2,28,29,30);3,5-6,9-12,15-17H,4,7-8,13-14,18H2,1-2H3,(H2,26,27,28);5-7,10-15,28H,3-4,8-9,16H2,1-2H3,(H2,26,27,29);6-10,13-16H,3-5,11-12H2,1-2H3,(H2,25,26,27)
InChIKeyMEAHHCPUEHUDOT-UHFFFAOYSA-N
XLogP39.87
TPSA407.80 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds50
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002954.94
LogP ≤ 539.87
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Analyze 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine with MolForge

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Related Compounds

N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 122632882
4-[2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-8-methyl-1,3,5,8-tetrazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-one
CID 73347337
3-[3-[2-[4-[4-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452855
US11208696, Example 27
CID 122632875
US11208696, Example 8
CID 122632888
Witj0529B
CID 122632895
N-(2,6-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 177645719
N-(2,6-dimethylphenyl)-2-[4-[[(3S,4R)-3-fluoropiperidin-4-yl]carbamoyl]-2-methoxyanilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 126740332
4-[(3S)-3-aminopyrrolidin-1-yl]-N-[3-methoxy-4-[[4-[2-methyl-6-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]adamantane-1-carboxamide
CID 156459992
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-[3-methoxy-4-[[4-[2-methyl-6-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]adamantane-1-carboxamide
CID 156460005
2-[[2-[4-[[5-[(3S)-3-acetamidopyrrolidine-1-carbonyl]-2-adamantyl]amino]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N,3-dimethylbenzamide
CID 156460006
N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
CID 157127951

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine (CID 159539533) is 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine is C=C1CCCN1c1ccc(Nc2cc(NCc3cccc(CC)c3)c(C)cn2)c(OC)c1.C=C1CCc2cc(Nc3cc(NCc4cccc(CC)c4)c(C)cn3)ccc2N1.CCc1cccc(CNc2cc(Nc3ccc(C(=O)N4CCCCC4)cc3OC)ncc2C)c1.CCc1cccc(CNc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1C.COc1cc(N2CCCCC2)ccc1Nc1cc(NCc2ccccc2)c(C)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2cccnc2)c(C)cn1.
What is the InChIKey of 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine?
The InChIKey is MEAHHCPUEHUDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2.C27H32N4O.C27H34N4O.C26H32N6O2.C25H30N4O.C25H28N4.C23H27N5O/c1-4-21-9-8-10-22(15-21)19-29-25-17-27(30-18-20(25)2)31-24-12-11-23(16-26(24)34-3)28(33)32-13-6-5-7-14-32;1-5-21-9-6-10-22(14-21)18-28-25-16-27(29-17-19(25)2)30-24-12-11-23(15-26(24)32-4)31-13-7-8-20(31)3;1-4-21-9-8-10-22(15-21)19-28-25-17-27(29-18-20(25)2)30-24-12-11-23(16-26(24)32-3)31-13-6-5-7-14-31;1-18-17-28-25(16-23(18)29-21-8-6-5-7-20(21)26(33)27-2)30-22-10-9-19(15-24(22)34-4)32-13-11-31(3)12-14-32;1-19-17-27-25(16-23(19)26-18-20-9-5-3-6-10-20)28-22-12-11-21(15-24(22)30-2)29-13-7-4-8-14-29;1-4-19-6-5-7-20(12-19)16-26-24-14-25(27-15-17(24)2)29-22-10-11-23-21(13-22)9-8-18(3)28-23;1-17-15-25-23(14-21(17)26-18-7-6-10-24-16-18)27-20-9-8-19(13-22(20)29-2)28-11-4-3-5-12-28/h8-12,15-18H,4-7,13-14,19H2,1-3H3,(H2,29,30,31);6,9-12,14-17H,3,5,7-8,13,18H2,1-2,4H3,(H2,28,29,30);8-12,15-18H,4-7,13-14,19H2,1-3H3,(H2,28,29,30);5-10,15-17H,11-14H2,1-4H3,(H,27,33)(H2,28,29,30);3,5-6,9-12,15-17H,4,7-8,13-14,18H2,1-2H3,(H2,26,27,28);5-7,10-15,28H,3-4,8-9,16H2,1-2H3,(H2,26,27,29);6-10,13-16H,3-5,11-12H2,1-2H3,(H2,25,26,27).
What are the key properties of 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine?
4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine has a molecular weight of 2954.94 g/mol, XLogP of 39.87, 50 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;[4-[[4-[(3-ethylphenyl)methylamino]-5-methyl-2-pyridinyl]amino]-3-methoxyphenyl]-piperidin-1-ylmethanone;4-N-[(3-ethylphenyl)methyl]-2-N-[2-methoxy-4-(2-methylidenepyrrolidin-1-yl)phenyl]-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;4-N-[(3-ethylphenyl)methyl]-5-methyl-2-N-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)pyridine-2,4-diamine;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-pyridin-3-ylpyridine-2,4-diamine is sourced from PubChem (CID 159539533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).