3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide

C14H9Cl2N3O — CID 60736617

IUPAC3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-11-5-6-12(16)19-13(11)14(20)18-8-10-3-1-9(7-17)2-4-10/h1-6H,8H2,(H,18,20)
InChIKeyYQTLRIRJEJGMTQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.19
Rot. Bonds3

About 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide

3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide (PubChem CID 60736617) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
PubChem CID60736617
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-11-5-6-12(16)19-13(11)14(20)18-8-10-3-1-9(7-17)2-4-10/h1-6H,8H2,(H,18,20)
InChIKeyYQTLRIRJEJGMTQ-UHFFFAOYSA-N
XLogP3.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-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

4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
4,5-dichloro-N-[(4-cyanophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 78852900
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
CID 62156376
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62312640
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide (CID 60736617) is 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide is N#Cc1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is YQTLRIRJEJGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-11-5-6-12(16)19-13(11)14(20)18-8-10-3-1-9(7-17)2-4-10/h1-6H,8H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 306.15 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 60736617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).