N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C12H14N4O2 — CID 64531438

IUPACN-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2ncc[nH]2)c(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-5-8(2)16-12(18)10(7)11(17)15-6-9-13-3-4-14-9/h3-5H,6H2,1-2H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyCDKMMKSWIUWOPN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.64
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 64531438) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID64531438
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2ncc[nH]2)c(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-5-8(2)16-12(18)10(7)11(17)15-6-9-13-3-4-14-9/h3-5H,6H2,1-2H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyCDKMMKSWIUWOPN-UHFFFAOYSA-N
XLogP0.64
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
CID 79965240
N-[(2-ethoxy-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70746076
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122565573
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64529437
N-[2-(1H-imidazol-2-yl)ethyl]-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122564999
5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 86798207
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
(E)-3-[5-(1H-imidazol-2-ylmethylcarbamoyl)-3-methylthiophen-2-yl]prop-2-enoic acid
CID 79997622
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 109381227

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 64531438) is N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCc2ncc[nH]2)c(=O)[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CDKMMKSWIUWOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-5-8(2)16-12(18)10(7)11(17)15-6-9-13-3-4-14-9/h3-5H,6H2,1-2H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64531438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).