3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C13H13N3O — CID 110852100

IUPAC3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCc1cccnc1
InChIInChI=1S/C13H13N3O/c1-10-7-15-6-4-12(10)13(17)16-9-11-3-2-5-14-8-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyGNDVLNKIAJLBSB-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 110852100) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID110852100
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCc1cccnc1
InChIInChI=1S/C13H13N3O/c1-10-7-15-6-4-12(10)13(17)16-9-11-3-2-5-14-8-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyGNDVLNKIAJLBSB-UHFFFAOYSA-N
XLogP1.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 36524206
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 110852100) is 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is Cc1cnccc1C(=O)NCc1cccnc1.
What is the InChIKey of 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is GNDVLNKIAJLBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-7-15-6-4-12(10)13(17)16-9-11-3-2-5-14-8-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 110852100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).