N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide

C21H19N3O2 — CID 108925504

IUPACN-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H19N3O2/c25-20(13-16-5-2-1-3-6-16)23-14-17-8-10-19(11-9-17)24-21(26)18-7-4-12-22-15-18/h1-12,15H,13-14H2,(H,23,25)(H,24,26)
InChIKeyHEWSRTSVCPDDJM-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925504) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925504
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H19N3O2/c25-20(13-16-5-2-1-3-6-16)23-14-17-8-10-19(11-9-17)24-21(26)18-7-4-12-22-15-18/h1-12,15H,13-14H2,(H,23,25)(H,24,26)
InChIKeyHEWSRTSVCPDDJM-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-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 167869744
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-2-oxo-2-phenylacetamide
CID 139864247
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925504) is N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Cc1ccccc1)NCc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is HEWSRTSVCPDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(13-16-5-2-1-3-6-16)23-14-17-8-10-19(11-9-17)24-21(26)18-7-4-12-22-15-18/h1-12,15H,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[(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-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).