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

C21H19N3O3 — CID 108926017

IUPACN-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(COc1ccccc1)Nc1ccccc1CNC(=O)c1cccnc1
InChIInChI=1S/C21H19N3O3/c25-20(15-27-18-9-2-1-3-10-18)24-19-11-5-4-7-16(19)14-23-21(26)17-8-6-12-22-13-17/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyKCBARUVQTYIXCV-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.03
Rot. Bonds7

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

N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926017) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926017
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(COc1ccccc1)Nc1ccccc1CNC(=O)c1cccnc1
InChIInChI=1S/C21H19N3O3/c25-20(15-27-18-9-2-1-3-10-18)24-19-11-5-4-7-16(19)14-23-21(26)17-8-6-12-22-13-17/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyKCBARUVQTYIXCV-UHFFFAOYSA-N
XLogP3.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928735
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926017) is N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(COc1ccccc1)Nc1ccccc1CNC(=O)c1cccnc1.
What is the InChIKey of N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KCBARUVQTYIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(15-27-18-9-2-1-3-10-18)24-19-11-5-4-7-16(19)14-23-21(26)17-8-6-12-22-13-17/h1-13H,14-15H2,(H,23,26)(H,24,25).
What are the key properties of N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).