N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H13N3O3 — CID 126810317

IUPACN-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESN#CCOc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H13N3O3/c16-7-9-21-12-5-3-11(4-6-12)10-18-15(20)13-2-1-8-17-14(13)19/h1-6,8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyZSCFLBPMSQVERY-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.21
Rot. Bonds5

About N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126810317) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126810317
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESN#CCOc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H13N3O3/c16-7-9-21-12-5-3-11(4-6-12)10-18-15(20)13-2-1-8-17-14(13)19/h1-6,8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyZSCFLBPMSQVERY-UHFFFAOYSA-N
XLogP1.21
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46858927
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
CID 51949056
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 31610697
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 37391009
N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492094
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786151
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786153

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126810317) is N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is N#CCOc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZSCFLBPMSQVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-7-9-21-12-5-3-11(4-6-12)10-18-15(20)13-2-1-8-17-14(13)19/h1-6,8H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126810317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).