5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C19H17N3O — CID 136514307

IUPAC5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)NCc3ccncc3)c2)cc1
InChIInChI=1S/C19H17N3O/c1-14-2-4-16(5-3-14)17-10-18(13-21-12-17)19(23)22-11-15-6-8-20-9-7-15/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyLXLOAPYNHLCJMK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.38
Rot. Bonds4

About 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 136514307) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID136514307
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)NCc3ccncc3)c2)cc1
InChIInChI=1S/C19H17N3O/c1-14-2-4-16(5-3-14)17-10-18(13-21-12-17)19(23)22-11-15-6-8-20-9-7-15/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyLXLOAPYNHLCJMK-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-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
2-[[[5-(4-methylphenyl)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 167762508
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 136514307) is 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1ccc(-c2cncc(C(=O)NCc3ccncc3)c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LXLOAPYNHLCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-2-4-16(5-3-14)17-10-18(13-21-12-17)19(23)22-11-15-6-8-20-9-7-15/h2-10,12-13H,11H2,1H3,(H,22,23).
What are the key properties of 5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-(4-methylphenyl)-N-(pyridin-4-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-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 136514307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).