1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide

C18H15ClN6O3 — CID 118419686

IUPAC1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3ccccc3Cl)nc2)c1C(N)=O
InChIInChI=1S/C18H15ClN6O3/c1-21-18(28)14-15(16(20)26)25(9-23-14)10-6-7-13(22-8-10)24-17(27)11-4-2-3-5-12(11)19/h2-9H,1H3,(H2,20,26)(H,21,28)(H,22,24,27)
InChIKeyQMSGMQRVWMOCQB-UHFFFAOYSA-N
MW398.81 g/mol
LogP1.63
Rot. Bonds5

About 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide

1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide (PubChem CID 118419686) has the molecular formula C18H15ClN6O3 and a molecular weight of 398.81 g/mol. Its IUPAC name is 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
PubChem CID118419686
Molecular FormulaC18H15ClN6O3
Molecular Weight398.81 g/mol
Exact Mass398.09
IUPAC Name1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3ccccc3Cl)nc2)c1C(N)=O
InChIInChI=1S/C18H15ClN6O3/c1-21-18(28)14-15(16(20)26)25(9-23-14)10-6-7-13(22-8-10)24-17(27)11-4-2-3-5-12(11)19/h2-9H,1H3,(H2,20,26)(H,21,28)(H,22,24,27)
InChIKeyQMSGMQRVWMOCQB-UHFFFAOYSA-N
XLogP1.63
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419872
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-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419565
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419378
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419406

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide (CID 118419686) is 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide is CNC(=O)c1ncn(-c2ccc(NC(=O)c3ccccc3Cl)nc2)c1C(N)=O.
What is the InChIKey of 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide?
The InChIKey is QMSGMQRVWMOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O3/c1-21-18(28)14-15(16(20)26)25(9-23-14)10-6-7-13(22-8-10)24-17(27)11-4-2-3-5-12(11)19/h2-9H,1H3,(H2,20,26)(H,21,28)(H,22,24,27).
What are the key properties of 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide?
1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide has a molecular weight of 398.81 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).