6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide

C12H17ClN2O — CID 64570115

IUPAC6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O/c1-8(2)9(3)7-14-12(16)10-5-4-6-11(13)15-10/h4-6,8-9H,7H2,1-3H3,(H,14,16)
InChIKeyYUZMNQWPEJFFHZ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.76
Rot. Bonds4

About 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide

6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide (PubChem CID 64570115) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
PubChem CID64570115
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O/c1-8(2)9(3)7-14-12(16)10-5-4-6-11(13)15-10/h4-6,8-9H,7H2,1-3H3,(H,14,16)
InChIKeyYUZMNQWPEJFFHZ-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.76
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

6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492491
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
6-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 62233322

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide (CID 64570115) is 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide is CC(C)C(C)CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
The InChIKey is YUZMNQWPEJFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)9(3)7-14-12(16)10-5-4-6-11(13)15-10/h4-6,8-9H,7H2,1-3H3,(H,14,16).
What are the key properties of 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide?
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 64570115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).