6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate

C47H53ClN14O8 — CID 158367468

IUPAC6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(Cl)c(C(=O)OCC)cn1.CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)OCC)cn1
InChIInChI=1S/C20H20N6O2.C16H19N5O3.C11H14ClN3O3/c1-2-22-20(28)26-18-11-17(24-15-9-6-10-21-12-15)16(13-23-18)19(27)25-14-7-4-3-5-8-14;1-3-18-16(23)21-14-8-13(20-11-6-5-7-17-9-11)12(10-19-14)15(22)24-4-2;1-3-13-11(17)15-9-5-8(12)7(6-14-9)10(16)18-4-2/h3-13H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28);5-10H,3-4H2,1-2H3,(H3,18,19,20,21,23);5-6H,3-4H2,1-2H3,(H2,13,14,15,17)
InChIKeyGUEZCULBMYSTAT-UHFFFAOYSA-N
MW977.48 g/mol
LogP8.21
Rot. Bonds16

About 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate

6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate (PubChem CID 158367468) has the molecular formula C47H53ClN14O8 and a molecular weight of 977.48 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate
PubChem CID158367468
Molecular FormulaC47H53ClN14O8
Molecular Weight977.48 g/mol
Exact Mass976.39
IUPAC Name6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(Cl)c(C(=O)OCC)cn1.CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)OCC)cn1
InChIInChI=1S/C20H20N6O2.C16H19N5O3.C11H14ClN3O3/c1-2-22-20(28)26-18-11-17(24-15-9-6-10-21-12-15)16(13-23-18)19(27)25-14-7-4-3-5-8-14;1-3-18-16(23)21-14-8-13(20-11-6-5-7-17-9-11)12(10-19-14)15(22)24-4-2;1-3-13-11(17)15-9-5-8(12)7(6-14-9)10(16)18-4-2/h3-13H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28);5-10H,3-4H2,1-2H3,(H3,18,19,20,21,23);5-6H,3-4H2,1-2H3,(H2,13,14,15,17)
InChIKeyGUEZCULBMYSTAT-UHFFFAOYSA-N
XLogP8.21
TPSA293.60 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500977.48
LogP ≤ 58.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate with MolForge

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Related Compounds

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Ethyl 6-[[5-carbamoyl-4-(2-chloroanilino)-2-pyridinyl]amino]pyridine-3-carboxylate
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6-[(5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate
CID 136215345
Ethyl 5-[2-(3-chloro-4-fluoroanilino)-4-[3-[(5-methylpyrazine-2-carbonyl)amino]propylamino]pyrimidin-5-yl]pyridine-3-carboxylate
CID 59353769
N-(5-chloropyridin-2-yl)-2-[[1-(3-methoxycarbonylpyridin-4-yl)piperidin-4-ylmethyl]amino]benzamide
CID 21906560
Methyl 4-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]anilino]methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 53952336
(S)-ethyl 6-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinate
CID 58324418
Tert-butyl 4-[4-[4-[(5-methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66836350
4-[4-[4-[(5-Methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836619
2-[[6-[4-(3-Amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate
CID 67600888
Methyl 5-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-3-carboxylate
CID 71621939
Ethyl 6-[4-[(9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 76760530

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate?
The IUPAC name of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate (CID 158367468) is 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate is CCNC(=O)Nc1cc(Cl)c(C(=O)OCC)cn1.CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.CCNC(=O)Nc1cc(Nc2cccnc2)c(C(=O)OCC)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate?
The InChIKey is GUEZCULBMYSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2.C16H19N5O3.C11H14ClN3O3/c1-2-22-20(28)26-18-11-17(24-15-9-6-10-21-12-15)16(13-23-18)19(27)25-14-7-4-3-5-8-14;1-3-18-16(23)21-14-8-13(20-11-6-5-7-17-9-11)12(10-19-14)15(22)24-4-2;1-3-13-11(17)15-9-5-8(12)7(6-14-9)10(16)18-4-2/h3-13H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28);5-10H,3-4H2,1-2H3,(H3,18,19,20,21,23);5-6H,3-4H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate?
6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate has a molecular weight of 977.48 g/mol, XLogP of 8.21, 16 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide;ethyl 4-chloro-6-(ethylcarbamoylamino)pyridine-3-carboxylate;ethyl 6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 158367468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).