N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide

C20H19N3O — CID 167788659

IUPACN-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCc2cccnc2)c1)c1ccccc1
InChIInChI=1S/C20H19N3O/c24-20(18-8-2-1-3-9-18)23-19-10-4-6-16(12-19)13-22-15-17-7-5-11-21-14-17/h1-12,14,22H,13,15H2,(H,23,24)
InChIKeyHLBSNLVIRQKGCK-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.62
Rot. Bonds6

About N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide

N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide (PubChem CID 167788659) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
PubChem CID167788659
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCc2cccnc2)c1)c1ccccc1
InChIInChI=1S/C20H19N3O/c24-20(18-8-2-1-3-9-18)23-19-10-4-6-16(12-19)13-22-15-17-7-5-11-21-14-17/h1-12,14,22H,13,15H2,(H,23,24)
InChIKeyHLBSNLVIRQKGCK-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382

Frequently Asked Questions

What is the IUPAC name of N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide?
The IUPAC name of N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide (CID 167788659) is N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide is O=C(Nc1cccc(CNCc2cccnc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide?
The InChIKey is HLBSNLVIRQKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(18-8-2-1-3-9-18)23-19-10-4-6-16(12-19)13-22-15-17-7-5-11-21-14-17/h1-12,14,22H,13,15H2,(H,23,24).
What are the key properties of N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide?
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 167788659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).