4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

C12H12N4O — CID 110852055

IUPAC4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCc1cccnc1
InChIInChI=1S/C12H12N4O/c1-9-11(7-14-8-16-9)12(17)15-6-10-3-2-4-13-5-10/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyBRZZCEZCUKFABW-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.11
Rot. Bonds3

About 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 110852055) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID110852055
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCc1cccnc1
InChIInChI=1S/C12H12N4O/c1-9-11(7-14-8-16-9)12(17)15-6-10-3-2-4-13-5-10/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyBRZZCEZCUKFABW-UHFFFAOYSA-N
XLogP1.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-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

3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 46971543
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 691924
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (CID 110852055) is 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is Cc1ncncc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is BRZZCEZCUKFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-11(7-14-8-16-9)12(17)15-6-10-3-2-4-13-5-10/h2-5,7-8H,6H2,1H3,(H,15,17).
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110852055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).