N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

C19H17N3O — CID 53149733

IUPACN-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C19H17N3O/c1-14-4-6-15(7-5-14)11-22-19(23)17-8-9-18(21-13-17)16-3-2-10-20-12-16/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyNVQBLAZZFFILPQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.38
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 53149733) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
PubChem CID53149733
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C19H17N3O/c1-14-4-6-15(7-5-14)11-22-19(23)17-8-9-18(21-13-17)16-3-2-10-20-12-16/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyNVQBLAZZFFILPQ-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

N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360760
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 53111039
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 155966958
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 66633812

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (CID 53149733) is N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(-c3cccnc3)nc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is NVQBLAZZFFILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-4-6-15(7-5-14)11-22-19(23)17-8-9-18(21-13-17)16-3-2-10-20-12-16/h2-10,12-13H,11H2,1H3,(H,22,23).
What are the key properties of N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-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 N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).