2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide

C16H17ClN2O2 — CID 151271051

IUPAC2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide
SMILESC[C@@H](CO)CNC(=O)c1c(-c2ccccc2)ccnc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(10-20)9-19-16(21)14-13(7-8-18-15(14)17)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyNWJHULZVUCPMIZ-LLVKDONJSA-N
MW304.78 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide

2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide (PubChem CID 151271051) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide
PubChem CID151271051
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide
SMILESC[C@@H](CO)CNC(=O)c1c(-c2ccccc2)ccnc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(10-20)9-19-16(21)14-13(7-8-18-15(14)17)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyNWJHULZVUCPMIZ-LLVKDONJSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.76
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-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide (CID 151271051) is 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide is C[C@@H](CO)CNC(=O)c1c(-c2ccccc2)ccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide?
The InChIKey is NWJHULZVUCPMIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(10-20)9-19-16(21)14-13(7-8-18-15(14)17)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide?
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 151271051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).