4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate

C91H95FN24O10 — CID 157487759

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
SMILESCCNC(=O)Nc1cc(Nc2ccc(C(=O)OC)cc2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(C)cc(F)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(NC(C)C)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc3c2ccn3C)cn1
InChIInChI=1S/C24H24N6O2.C23H27N7O2.C22H22FN5O2.C22H22N6O4/c1-3-25-24(32)29-22-14-20(27-16-8-5-4-6-9-16)18(15-26-22)23(31)28-19-10-7-11-21-17(19)12-13-30(21)2;1-4-24-23(32)30-21-12-19(28-16-8-6-5-7-9-16)18(14-26-21)22(31)29-17-10-11-20(25-13-17)27-15(2)3;1-3-24-22(30)28-20-12-19(26-16-7-5-4-6-8-16)18(13-25-20)21(29)27-17-10-14(2)9-15(23)11-17;1-3-24-22(31)28-19-11-18(26-15-8-6-14(7-9-15)21(30)32-2)17(13-25-19)20(29)27-16-5-4-10-23-12-16/h4-15H,3H2,1-2H3,(H,28,31)(H3,25,26,27,29,32);5-15H,4H2,1-3H3,(H,25,27)(H,29,31)(H3,24,26,28,30,32);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,30);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,31)
InChIKeyBWXKREUISMIKIW-UHFFFAOYSA-N
MW1703.92 g/mol
LogP17.21
Rot. Bonds27

About 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate

4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate (PubChem CID 157487759) has the molecular formula C91H95FN24O10 and a molecular weight of 1703.92 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
PubChem CID157487759
Molecular FormulaC91H95FN24O10
Molecular Weight1703.92 g/mol
Exact Mass1702.76
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
SMILESCCNC(=O)Nc1cc(Nc2ccc(C(=O)OC)cc2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(C)cc(F)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(NC(C)C)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc3c2ccn3C)cn1
InChIInChI=1S/C24H24N6O2.C23H27N7O2.C22H22FN5O2.C22H22N6O4/c1-3-25-24(32)29-22-14-20(27-16-8-5-4-6-9-16)18(15-26-22)23(31)28-19-10-7-11-21-17(19)12-13-30(21)2;1-4-24-23(32)30-21-12-19(28-16-8-6-5-7-9-16)18(14-26-21)22(31)29-17-10-11-20(25-13-17)27-15(2)3;1-3-24-22(30)28-20-12-19(26-16-7-5-4-6-8-16)18(13-25-20)21(29)27-17-10-14(2)9-15(23)11-17;1-3-24-22(31)28-19-11-18(26-15-8-6-14(7-9-15)21(30)32-2)17(13-25-19)20(29)27-16-5-4-10-23-12-16/h4-15H,3H2,1-2H3,(H,28,31)(H3,25,26,27,29,32);5-15H,4H2,1-3H3,(H,25,27)(H,29,31)(H3,24,26,28,30,32);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,30);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,31)
InChIKeyBWXKREUISMIKIW-UHFFFAOYSA-N
XLogP17.21
TPSA449.64 Ų
H-Bond Donors17
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001703.92
LogP ≤ 517.21
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1022

Analyze 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate with MolForge

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Related Compounds

4-[4-[5-[(1-Ethylindol-6-yl)carbamoyl]-2-pyridinyl]piperazin-1-yl]-2-fluorobenzoic acid
CID 59318044
3-fluoro-4-{4-[5-(1-ethyl-1H-indol-6-ylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid
CID 59318188
[4-Fluoro-2-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-6-(1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate
CID 67016355
Methyl 6-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyridine-3-carboxylate
CID 148149213
methyl 2-aminopyridine-3-carboxylate;methyl (2S)-3-(8-aminoquinolin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoate;methyl 2-[[5-[(2S)-3-methoxy-2-(methylamino)-3-oxopropyl]quinolin-8-yl]carbamoylamino]pyridine-3-carboxylate;methyl (2S)-2-(methylamino)-3-[8-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 158227360
1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159142495
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[4-(propylcarbamoyl)anilino]pyridine-3-carboxamide;4-(1H-indol-7-ylamino)-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4-(4-methanimidoylanilino)-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;N-methyl-6-[(5-methyl-2-pyridinyl)amino]-4-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]pyridine-3-carboxamide;N-methyl-6-[(5-methyl-2-pyridinyl)amino]-4-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 161384244
1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 161406696
methane;methyl 2-aminopyridine-3-carboxylate;methyl (2S)-3-(8-aminoquinolin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoate;methyl 2-[[5-[(2S)-3-methoxy-2-(methylamino)-3-oxopropyl]quinolin-8-yl]carbamoylamino]pyridine-3-carboxylate;methyl (2S)-2-(methylamino)-3-[8-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 165013683
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[[(3S)-1-[(4S)-4-[[8-[[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)amino]methoxymethyl]quinoxalin-5-yl]-methylamino]pyrrolidin-2-yl]piperidin-3-yl]amino]quinoxaline-5-carboxamide
CID 172307339
Methyl 4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]benzoyl]amino]-3-fluorobenzoate
CID 176268199
Methyl 1-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]indole-5-carboxylate
CID 22723984

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate (CID 157487759) is 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate is CCNC(=O)Nc1cc(Nc2ccc(C(=O)OC)cc2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(C)cc(F)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(NC(C)C)nc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc3c2ccn3C)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
The InChIKey is BWXKREUISMIKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C23H27N7O2.C22H22FN5O2.C22H22N6O4/c1-3-25-24(32)29-22-14-20(27-16-8-5-4-6-9-16)18(15-26-22)23(31)28-19-10-7-11-21-17(19)12-13-30(21)2;1-4-24-23(32)30-21-12-19(28-16-8-6-5-7-9-16)18(14-26-21)22(31)29-17-10-11-20(25-13-17)27-15(2)3;1-3-24-22(30)28-20-12-19(26-16-7-5-4-6-8-16)18(13-25-20)21(29)27-17-10-14(2)9-15(23)11-17;1-3-24-22(31)28-19-11-18(26-15-8-6-14(7-9-15)21(30)32-2)17(13-25-19)20(29)27-16-5-4-10-23-12-16/h4-15H,3H2,1-2H3,(H,28,31)(H3,25,26,27,29,32);5-15H,4H2,1-3H3,(H,25,27)(H,29,31)(H3,24,26,28,30,32);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,30);4-13H,3H2,1-2H3,(H,27,29)(H3,24,25,26,28,31).
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate?
4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate has a molecular weight of 1703.92 g/mol, XLogP of 17.21, 27 rotatable bonds, 17 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 157487759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).