1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide

C19H17ClN6O3 — CID 118419378

IUPAC1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1ncn(-c2ccc(NC(=O)c3cnccc3Cl)cc2)c1C(N)=O
InChIInChI=1S/C19H17ClN6O3/c1-2-23-19(29)15-16(17(21)27)26(10-24-15)12-5-3-11(4-6-12)25-18(28)13-9-22-8-7-14(13)20/h3-10H,2H2,1H3,(H2,21,27)(H,23,29)(H,25,28)
InChIKeyWGLVEVKSLSKIFW-UHFFFAOYSA-N
MW412.84 g/mol
LogP2.02
Rot. Bonds6

About 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide

1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide (PubChem CID 118419378) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
PubChem CID118419378
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC Name1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1ncn(-c2ccc(NC(=O)c3cnccc3Cl)cc2)c1C(N)=O
InChIInChI=1S/C19H17ClN6O3/c1-2-23-19(29)15-16(17(21)27)26(10-24-15)12-5-3-11(4-6-12)25-18(28)13-9-22-8-7-14(13)20/h3-10H,2H2,1H3,(H2,21,27)(H,23,29)(H,25,28)
InChIKeyWGLVEVKSLSKIFW-UHFFFAOYSA-N
XLogP2.02
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419406
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419330
1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419005
1-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419305
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(dimethylamino)-2-methylpropyl]imidazole-4,5-dicarboxamide
CID 118419425
1-[4-[[2-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419322
1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]imidazole-4,5-dicarboxamide
CID 118419024
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419686
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide (CID 118419378) is 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide is CCNC(=O)c1ncn(-c2ccc(NC(=O)c3cnccc3Cl)cc2)c1C(N)=O.
What is the InChIKey of 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
The InChIKey is WGLVEVKSLSKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c1-2-23-19(29)15-16(17(21)27)26(10-24-15)12-5-3-11(4-6-12)25-18(28)13-9-22-8-7-14(13)20/h3-10H,2H2,1H3,(H2,21,27)(H,23,29)(H,25,28).
What are the key properties of 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide has a molecular weight of 412.84 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).