N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide

C20H17N3O2 — CID 166187411

IUPACN-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19(16-6-2-1-3-7-16)22-14-15-5-4-8-18(13-15)23-20(25)17-9-11-21-12-10-17/h1-13H,14H2,(H,22,24)(H,23,25)
InChIKeyLGABMKXLUVKEHO-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide (PubChem CID 166187411) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
PubChem CID166187411
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19(16-6-2-1-3-7-16)22-14-15-5-4-8-18(13-15)23-20(25)17-9-11-21-12-10-17/h1-13H,14H2,(H,22,24)(H,23,25)
InChIKeyLGABMKXLUVKEHO-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide (CID 166187411) is N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide is O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is LGABMKXLUVKEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(16-6-2-1-3-7-16)22-14-15-5-4-8-18(13-15)23-20(25)17-9-11-21-12-10-17/h1-13H,14H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide?
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166187411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).