N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide

C18H18N4O2 — CID 41283014

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cncn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-8-13(2)21-17(23)15(12)9-20-18(24)16-10-19-11-22(16)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyABVOWMOZFMFPGO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.11
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide (PubChem CID 41283014) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide
PubChem CID41283014
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cncn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-8-13(2)21-17(23)15(12)9-20-18(24)16-10-19-11-22(16)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyABVOWMOZFMFPGO-UHFFFAOYSA-N
XLogP2.11
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazole-4-carboxanilide
CID 312385
2-anilino-9-[4-(4-methoxy-1-piperidyl)butyl]-1H-purin-6-one
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2-anilino-9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-1H-purin-6-one
CID 135445239
2-anilino-9-[4-(1-piperidyl)butyl]-1H-purin-6-one
CID 135476564
2-anilino-9-[4-(dimethylamino)butyl]-1H-purin-6-one
CID 135489188
2-anilino-9-[4-[ethyl(methyl)amino]butyl]-1H-purin-6-one
CID 135497108
2-anilino-9-[4-(diethylamino)butyl]-1H-purin-6-one
CID 135497121
2-anilino-9-[4-(diallylamino)butyl]-1H-purin-6-one
CID 135499906
2-anilino-9-[4-[bis(2-hydroxyethyl)amino]butyl]-1H-purin-6-one
CID 135524756
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 4876863

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide (CID 41283014) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cncn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is ABVOWMOZFMFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-8-13(2)21-17(23)15(12)9-20-18(24)16-10-19-11-22(16)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 41283014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).