N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen

C100H117ClFN17O5 — CID 157056466

IUPACN-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc(C)c1.CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(C#N)cc1.CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F.Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H29N5O.C25H27FN4O.C24H27ClN4O.C24H28N4O2.3H2/c1-3-32(18-21-8-6-7-19(2)15-21)26(33)24-17-29-27(30-23-9-4-5-10-23)31-25(24)22-13-11-20(16-28)12-14-22;1-2-29(18-19-11-5-3-6-12-19)24(31)21-17-27-25(30-15-9-4-10-16-30)28-23(21)20-13-7-8-14-22(20)26;1-16(2)15-29(4)23(30)21-14-27-24(26-13-18-8-6-10-20(25)12-18)28-22(21)19-9-5-7-17(3)11-19;1-5-28(3)23(29)21-16-26-24(27-22(21)19-8-6-7-17(2)15-19)25-14-13-18-9-11-20(30-4)12-10-18;;;/h6-8,11-15,17,23H,3-5,9-10,18H2,1-2H3,(H,29,30,31);3,5-8,11-14,17H,2,4,9-10,15-16,18H2,1H3;5-12,14,16H,13,15H2,1-4H3,(H,26,27,28);6-12,15-16H,5,13-14H2,1-4H3,(H,25,26,27);3*1H
InChIKeyAAUVYOKKBXHYIR-UHFFFAOYSA-N
MW1691.60 g/mol
LogP20.67
Rot. Bonds28

About N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen

N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 157056466) has the molecular formula C100H117ClFN17O5 and a molecular weight of 1691.60 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen
PubChem CID157056466
Molecular FormulaC100H117ClFN17O5
Molecular Weight1691.60 g/mol
Exact Mass1689.91
IUPAC NameN-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc(C)c1.CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(C#N)cc1.CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F.Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H29N5O.C25H27FN4O.C24H27ClN4O.C24H28N4O2.3H2/c1-3-32(18-21-8-6-7-19(2)15-21)26(33)24-17-29-27(30-23-9-4-5-10-23)31-25(24)22-13-11-20(16-28)12-14-22;1-2-29(18-19-11-5-3-6-12-19)24(31)21-17-27-25(30-15-9-4-10-16-30)28-23(21)20-13-7-8-14-22(20)26;1-16(2)15-29(4)23(30)21-14-27-24(26-13-18-8-6-10-20(25)12-18)28-22(21)19-9-5-7-17(3)11-19;1-5-28(3)23(29)21-16-26-24(27-22(21)19-8-6-7-17(2)15-19)25-14-13-18-9-11-20(30-4)12-10-18;;;/h6-8,11-15,17,23H,3-5,9-10,18H2,1-2H3,(H,29,30,31);3,5-8,11-14,17H,2,4,9-10,15-16,18H2,1H3;5-12,14,16H,13,15H2,1-4H3,(H,26,27,28);6-12,15-16H,5,13-14H2,1-4H3,(H,25,26,27);3*1H
InChIKeyAAUVYOKKBXHYIR-UHFFFAOYSA-N
XLogP20.67
TPSA256.71 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.60
LogP ≤ 520.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen with MolForge

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Related Compounds

2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157231491
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157397105
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158555976
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158961573
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 159722823
6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1-cyanocyclobutyl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-cyanooxan-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-cyanopropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160182656
6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1-cyanocyclobutyl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-cyanooxan-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-cyanopropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160286037
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 161442345
4-[5-(5-Ethyl-2-methylpiperidine-1-carbonyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile
CID 59421228
[6-[3-(3-Chloro-4-methoxyphenyl)propyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-(3-chlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[3-(3-chlorophenyl)propyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[(3-fluoro-4-methylphenyl)methylamino]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[5-methyl-6-[2-(4-phenylcyclohexyl)ethyl]pyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 157138571
2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen
CID 157493151
N-benzyl-2-(cyclopropylmethylamino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-[(2,6-dimethoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide;N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide;[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 157686372

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen (CID 157056466) is N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen is CCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc(C)c1.CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(C#N)cc1.CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F.Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1.[H][H].[H][H].[H][H].
What is the InChIKey of N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is AAUVYOKKBXHYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O.C25H27FN4O.C24H27ClN4O.C24H28N4O2.3H2/c1-3-32(18-21-8-6-7-19(2)15-21)26(33)24-17-29-27(30-23-9-4-5-10-23)31-25(24)22-13-11-20(16-28)12-14-22;1-2-29(18-19-11-5-3-6-12-19)24(31)21-17-27-25(30-15-9-4-10-16-30)28-23(21)20-13-7-8-14-22(20)26;1-16(2)15-29(4)23(30)21-14-27-24(26-13-18-8-6-10-20(25)12-18)28-22(21)19-9-5-7-17(3)11-19;1-5-28(3)23(29)21-16-26-24(27-22(21)19-8-6-7-17(2)15-19)25-14-13-18-9-11-20(30-4)12-10-18;;;/h6-8,11-15,17,23H,3-5,9-10,18H2,1-2H3,(H,29,30,31);3,5-8,11-14,17H,2,4,9-10,15-16,18H2,1H3;5-12,14,16H,13,15H2,1-4H3,(H,26,27,28);6-12,15-16H,5,13-14H2,1-4H3,(H,25,26,27);3*1H.
What are the key properties of N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen?
N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 1691.60 g/mol, XLogP of 20.67, 28 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 157056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).