N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide

C21H19N3O2 — CID 108926276

IUPACN-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H19N3O2/c25-20(13-16-6-2-1-3-7-16)23-14-17-8-4-10-19(12-17)24-21(26)18-9-5-11-22-15-18/h1-12,15H,13-14H2,(H,23,25)(H,24,26)
InChIKeyAMEFFORLBDYDAC-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.19
Rot. Bonds6

About N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926276) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926276
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H19N3O2/c25-20(13-16-6-2-1-3-7-16)23-14-17-8-4-10-19(12-17)24-21(26)18-9-5-11-22-15-18/h1-12,15H,13-14H2,(H,23,25)(H,24,26)
InChIKeyAMEFFORLBDYDAC-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926276) is N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Cc1ccccc1)NCc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is AMEFFORLBDYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(13-16-6-2-1-3-7-16)23-14-17-8-4-10-19(12-17)24-21(26)18-9-5-11-22-15-18/h1-12,15H,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).