N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide

C13H12BrN3O2 — CID 71861302

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C)c(=O)c2)ncc1Br
InChIInChI=1S/C13H12BrN3O2/c1-8-5-11(15-7-10(8)14)16-13(19)9-3-4-17(2)12(18)6-9/h3-7H,1-2H3,(H,15,16,19)
InChIKeyQPLJATJNIKOFOW-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.10
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71861302) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID71861302
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C)c(=O)c2)ncc1Br
InChIInChI=1S/C13H12BrN3O2/c1-8-5-11(15-7-10(8)14)16-13(19)9-3-4-17(2)12(18)6-9/h3-7H,1-2H3,(H,15,16,19)
InChIKeyQPLJATJNIKOFOW-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-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 N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 71861302) is N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide is Cc1cc(NC(=O)c2ccn(C)c(=O)c2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is QPLJATJNIKOFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-8-5-11(15-7-10(8)14)16-13(19)9-3-4-17(2)12(18)6-9/h3-7H,1-2H3,(H,15,16,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71861302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).