2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide

C15H23ClN2O — CID 103461104

IUPAC2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C15H23ClN2O/c1-6-15(4,5)9-17-14(19)11-7-12(10(2)3)18-13(16)8-11/h7-8,10H,6,9H2,1-5H3,(H,17,19)
InChIKeyKOHZCPCBAKXZJJ-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.02
Rot. Bonds5

About 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 103461104) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID103461104
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C15H23ClN2O/c1-6-15(4,5)9-17-14(19)11-7-12(10(2)3)18-13(16)8-11/h7-8,10H,6,9H2,1-5H3,(H,17,19)
InChIKeyKOHZCPCBAKXZJJ-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
2-chloro-N-pent-1-yn-3-yl-6-propan-2-ylpyridine-4-carboxamide
CID 106228697
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113475573
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide (CID 103461104) is 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide is CCC(C)(C)CNC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is KOHZCPCBAKXZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-6-15(4,5)9-17-14(19)11-7-12(10(2)3)18-13(16)8-11/h7-8,10H,6,9H2,1-5H3,(H,17,19).
What are the key properties of 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 282.82 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 103461104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).