4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C15H13N3O2 — CID 53184855

IUPAC4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O2/c1-20-15-13(3-2-8-17-15)10-18-14(19)12-6-4-11(9-16)5-7-12/h2-8H,10H2,1H3,(H,18,19)
InChIKeyJRBSQTMECDVFDS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.89
Rot. Bonds4

About 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 53184855) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID53184855
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O2/c1-20-15-13(3-2-8-17-15)10-18-14(19)12-6-4-11(9-16)5-7-12/h2-8H,10H2,1H3,(H,18,19)
InChIKeyJRBSQTMECDVFDS-UHFFFAOYSA-N
XLogP1.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide 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-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 38535025
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 53184855) is 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is JRBSQTMECDVFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15-13(3-2-8-17-15)10-18-14(19)12-6-4-11(9-16)5-7-12/h2-8H,10H2,1H3,(H,18,19).
What are the key properties of 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 267.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 53184855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).