1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide

C19H18N6O3 — CID 118419601

IUPAC1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3c(C(N)=O)ncn3C)cc2)nc1
InChIInChI=1S/C19H18N6O3/c1-11-3-8-14(21-9-11)18(27)23-12-4-6-13(7-5-12)24-19(28)16-15(17(20)26)22-10-25(16)2/h3-10H,1-2H3,(H2,20,26)(H,23,27)(H,24,28)
InChIKeyKHNAUOUAIRKETJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.73
Rot. Bonds5

About 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide

1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide (PubChem CID 118419601) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide
PubChem CID118419601
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3c(C(N)=O)ncn3C)cc2)nc1
InChIInChI=1S/C19H18N6O3/c1-11-3-8-14(21-9-11)18(27)23-12-4-6-13(7-5-12)24-19(28)16-15(17(20)26)22-10-25(16)2/h3-10H,1-2H3,(H2,20,26)(H,23,27)(H,24,28)
InChIKeyKHNAUOUAIRKETJ-UHFFFAOYSA-N
XLogP1.73
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167753642
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 59141435
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-acetamidophenyl)-5-aminopyridine-2-carboxamide
CID 81319300
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
ethane;1-methylimidazole-4,5-dicarbohydrazide
CID 143864935
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419330

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide (CID 118419601) is 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3c(C(N)=O)ncn3C)cc2)nc1.
What is the InChIKey of 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide?
The InChIKey is KHNAUOUAIRKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-11-3-8-14(21-9-11)18(27)23-12-4-6-13(7-5-12)24-19(28)16-15(17(20)26)22-10-25(16)2/h3-10H,1-2H3,(H2,20,26)(H,23,27)(H,24,28).
What are the key properties of 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide?
1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).