2-chloro-N,N-dipentylpyridine-4-carboxamide

C16H25ClN2O — CID 60776125

IUPAC2-chloro-N,N-dipentylpyridine-4-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-3-5-7-11-19(12-8-6-4-2)16(20)14-9-10-18-15(17)13-14/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyXYDFXEYHFOMBBN-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.56
Rot. Bonds9

About 2-chloro-N,N-dipentylpyridine-4-carboxamide

2-chloro-N,N-dipentylpyridine-4-carboxamide (PubChem CID 60776125) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-chloro-N,N-dipentylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-dipentylpyridine-4-carboxamide
PubChem CID60776125
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-chloro-N,N-dipentylpyridine-4-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-3-5-7-11-19(12-8-6-4-2)16(20)14-9-10-18-15(17)13-14/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyXYDFXEYHFOMBBN-UHFFFAOYSA-N
XLogP4.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.56
H-Bond Donors ≤ 50
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

2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 47837922
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate
CID 95627920
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dipentylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N,N-dipentylpyridine-4-carboxamide (CID 60776125) is 2-chloro-N,N-dipentylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N,N-dipentylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N,N-dipentylpyridine-4-carboxamide is CCCCCN(CCCCC)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N,N-dipentylpyridine-4-carboxamide?
The InChIKey is XYDFXEYHFOMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-5-7-11-19(12-8-6-4-2)16(20)14-9-10-18-15(17)13-14/h9-10,13H,3-8,11-12H2,1-2H3.
What are the key properties of 2-chloro-N,N-dipentylpyridine-4-carboxamide?
2-chloro-N,N-dipentylpyridine-4-carboxamide has a molecular weight of 296.84 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dipentylpyridine-4-carboxamide is sourced from PubChem (CID 60776125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).