4-chloro-N-hexylpyridine-2-carboxamide

C12H17ClN2O — CID 60656473

IUPAC4-chloro-N-hexylpyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O/c1-2-3-4-5-7-15-12(16)11-9-10(13)6-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyVYTKKQDGZFVGDO-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.05
Rot. Bonds6

About 4-chloro-N-hexylpyridine-2-carboxamide

4-chloro-N-hexylpyridine-2-carboxamide (PubChem CID 60656473) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-hexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-hexylpyridine-2-carboxamide
PubChem CID60656473
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-hexylpyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O/c1-2-3-4-5-7-15-12(16)11-9-10(13)6-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyVYTKKQDGZFVGDO-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
CID 115635951
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hexylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-hexylpyridine-2-carboxamide (CID 60656473) is 4-chloro-N-hexylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-hexylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-hexylpyridine-2-carboxamide is CCCCCCNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-hexylpyridine-2-carboxamide?
The InChIKey is VYTKKQDGZFVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-3-4-5-7-15-12(16)11-9-10(13)6-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-hexylpyridine-2-carboxamide?
4-chloro-N-hexylpyridine-2-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hexylpyridine-2-carboxamide is sourced from PubChem (CID 60656473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).