6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C19H20N6O2S — CID 71623039

IUPAC6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2nccs2)cn1
InChIInChI=1S/C19H20N6O2S/c1-3-20-18(27)24-16-10-15(23-13-6-4-5-12(2)9-13)14(11-22-16)17(26)25-19-21-7-8-28-19/h4-11H,3H2,1-2H3,(H,21,25,26)(H3,20,22,23,24,27)
InChIKeyZXKRUUIFJDOFGA-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.98
Rot. Bonds6

About 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 71623039) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID71623039
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2nccs2)cn1
InChIInChI=1S/C19H20N6O2S/c1-3-20-18(27)24-16-10-15(23-13-6-4-5-12(2)9-13)14(11-22-16)17(26)25-19-21-7-8-28-19/h4-11H,3H2,1-2H3,(H,21,25,26)(H3,20,22,23,24,27)
InChIKeyZXKRUUIFJDOFGA-UHFFFAOYSA-N
XLogP3.98
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 506605
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
2-Ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470733
2-[(2,6-dimethylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911267
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
N-(2,6-dimethylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911586
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 71623038
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 71623039) is 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2nccs2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ZXKRUUIFJDOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-3-20-18(27)24-16-10-15(23-13-6-4-5-12(2)9-13)14(11-22-16)17(26)25-19-21-7-8-28-19/h4-11H,3H2,1-2H3,(H,21,25,26)(H3,20,22,23,24,27).
What are the key properties of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71623039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).