6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide

C11H12ClN3O — CID 63284925

IUPAC6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
SMILESN#CCCCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c12-10-6-4-5-9(15-10)11(16)14-8-3-1-2-7-13/h4-6H,1-3,8H2,(H,14,16)
InChIKeyLADHNAGNQWCEGO-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.16
Rot. Bonds5

About 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide

6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide (PubChem CID 63284925) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
PubChem CID63284925
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
SMILESN#CCCCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c12-10-6-4-5-9(15-10)11(16)14-8-3-1-2-7-13/h4-6H,1-3,8H2,(H,14,16)
InChIKeyLADHNAGNQWCEGO-UHFFFAOYSA-N
XLogP2.16
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 5006445
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide (CID 63284925) is 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide is N#CCCCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
The InChIKey is LADHNAGNQWCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-10-6-4-5-9(15-10)11(16)14-8-3-1-2-7-13/h4-6H,1-3,8H2,(H,14,16).
What are the key properties of 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 63284925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).