2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide

C12H17ClN2O2 — CID 111483981

IUPAC2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)12(3,17)7-15-11(16)9-4-5-14-10(13)6-9/h4-6,8,17H,7H2,1-3H3,(H,15,16)
InChIKeyMGPMFLWCHRVUPV-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide

2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide (PubChem CID 111483981) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
PubChem CID111483981
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)12(3,17)7-15-11(16)9-4-5-14-10(13)6-9/h4-6,8,17H,7H2,1-3H3,(H,15,16)
InChIKeyMGPMFLWCHRVUPV-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-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

3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104877898
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide (CID 111483981) is 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide is CC(C)C(C)(O)CNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide?
The InChIKey is MGPMFLWCHRVUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)12(3,17)7-15-11(16)9-4-5-14-10(13)6-9/h4-6,8,17H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide?
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 111483981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).