N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C17H16N4O — CID 3841300

IUPACN-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C17H16N4O/c1-12-6-8-14(9-7-12)20-17(22)15-10-21(11-18-15)16-5-3-4-13(2)19-16/h3-11H,1-2H3,(H,20,22)
InChIKeyICOLKPMGUSJQIW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

About N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 3841300) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID3841300
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C17H16N4O/c1-12-6-8-14(9-7-12)20-17(22)15-10-21(11-18-15)16-5-3-4-13(2)19-16/h3-11H,1-2H3,(H,20,22)
InChIKeyICOLKPMGUSJQIW-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 3841300) is N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is ICOLKPMGUSJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-6-8-14(9-7-12)20-17(22)15-10-21(11-18-15)16-5-3-4-13(2)19-16/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 3841300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).