4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide

C16H22N4O2 — CID 172655426

IUPAC4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1nccn1C
InChIInChI=1S/C16H22N4O2/c1-11(2)5-8-20-9-6-12(3)13(15(20)22)14(21)18-16-17-7-10-19(16)4/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,21)
InChIKeyVZPQIDXLDRDUSA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide

4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 172655426) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID172655426
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1nccn1C
InChIInChI=1S/C16H22N4O2/c1-11(2)5-8-20-9-6-12(3)13(15(20)22)14(21)18-16-17-7-10-19(16)4/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,21)
InChIKeyVZPQIDXLDRDUSA-UHFFFAOYSA-N
XLogP2.19
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide (CID 172655426) is 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1nccn1C.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is VZPQIDXLDRDUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)5-8-20-9-6-12(3)13(15(20)22)14(21)18-16-17-7-10-19(16)4/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,21).
What are the key properties of 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide?
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172655426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).