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

C12H17ClN2O — CID 62235303

IUPAC6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
SMILESCC(C)CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O/c1-9(2)5-4-8-14-12(16)10-6-3-7-11(13)15-10/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16)
InChIKeyZMMZDZSJGCJOCU-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.90
Rot. Bonds5

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

6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide (PubChem CID 62235303) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
PubChem CID62235303
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
SMILESCC(C)CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O/c1-9(2)5-4-8-14-12(16)10-6-3-7-11(13)15-10/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16)
InChIKeyZMMZDZSJGCJOCU-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide (CID 62235303) is 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide is CC(C)CCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide?
The InChIKey is ZMMZDZSJGCJOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(2)5-4-8-14-12(16)10-6-3-7-11(13)15-10/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide?
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 62235303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).