5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H17N3O — CID 46032131

IUPAC5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H17N3O/c1-14-5-2-3-7-18(14)16-9-17(13-21-12-16)19(23)22-11-15-6-4-8-20-10-15/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyCRJIKIBZCVYBBX-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.38
Rot. Bonds4

About 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 46032131) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID46032131
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H17N3O/c1-14-5-2-3-7-18(14)16-9-17(13-21-12-16)19(23)22-11-15-6-4-8-20-10-15/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyCRJIKIBZCVYBBX-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
N-benzylpyridine-3-carboxamide chloride
CID 21204170
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 46032131) is 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1-c1cncc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CRJIKIBZCVYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-5-2-3-7-18(14)16-9-17(13-21-12-16)19(23)22-11-15-6-4-8-20-10-15/h2-10,12-13H,11H2,1H3,(H,22,23).
What are the key properties of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46032131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).