N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide

C13H13N3O2 — CID 113257132

IUPACN-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-16(9-10-2-5-14-6-3-10)13(18)11-4-7-15-12(17)8-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyAKKJEBUZLZCNQN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide

N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide (PubChem CID 113257132) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
PubChem CID113257132
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-16(9-10-2-5-14-6-3-10)13(18)11-4-7-15-12(17)8-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyAKKJEBUZLZCNQN-UHFFFAOYSA-N
XLogP1.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762664
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763358
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
N-methyl-N-[2-(methylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103885153
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide (CID 113257132) is N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide is CN(Cc1ccncc1)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide?
The InChIKey is AKKJEBUZLZCNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(9-10-2-5-14-6-3-10)13(18)11-4-7-15-12(17)8-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide?
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 113257132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).