6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide

C15H14Cl2N2O — CID 62234195

IUPAC6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-2-12(10-5-3-6-11(16)9-10)19-15(20)13-7-4-8-14(17)18-13/h3-9,12H,2H2,1H3,(H,19,20)
InChIKeyMXYBZGDXJOQTFY-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide

6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide (PubChem CID 62234195) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
PubChem CID62234195
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-2-12(10-5-3-6-11(16)9-10)19-15(20)13-7-4-8-14(17)18-13/h3-9,12H,2H2,1H3,(H,19,20)
InChIKeyMXYBZGDXJOQTFY-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
6-chloro-N-[(3R)-4-oxohexan-3-yl]pyridine-2-carboxamide
CID 129388932
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 115902016
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide (CID 62234195) is 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide is CCC(NC(=O)c1cccc(Cl)n1)c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide?
The InChIKey is MXYBZGDXJOQTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-12(10-5-3-6-11(16)9-10)19-15(20)13-7-4-8-14(17)18-13/h3-9,12H,2H2,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide?
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 62234195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).