2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide

C14H9Cl2N3O — CID 103605980

IUPAC2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
SMILESN#CC(NC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H9Cl2N3O/c15-12-6-10(7-13(16)19-12)14(20)18-11(8-17)9-4-2-1-3-5-9/h1-7,11H,(H,18,20)
InChIKeyDSZBQYATDYLSHR-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.38
Rot. Bonds3

About 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide (PubChem CID 103605980) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
PubChem CID103605980
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
SMILESN#CC(NC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H9Cl2N3O/c15-12-6-10(7-13(16)19-12)14(20)18-11(8-17)9-4-2-1-3-5-9/h1-7,11H,(H,18,20)
InChIKeyDSZBQYATDYLSHR-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
CID 60717552
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
3,4-dichloro-N-[cyano(phenyl)methyl]-1,2-thiazole-5-carboxamide
CID 54115728
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104919730
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide (CID 103605980) is 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide is N#CC(NC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide?
The InChIKey is DSZBQYATDYLSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-12-6-10(7-13(16)19-12)14(20)18-11(8-17)9-4-2-1-3-5-9/h1-7,11H,(H,18,20).
What are the key properties of 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide has a molecular weight of 306.15 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103605980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).