2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide

C16H17ClN2O2 — CID 102673663

IUPAC2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)Cc2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-11-7-13(9-15(17)18-11)16(21)19-14(10-20)8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyAEYKRTAYRQMDJL-AWEZNQCLSA-N
MW304.78 g/mol
LogP2.38
Rot. Bonds5

About 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide (PubChem CID 102673663) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
PubChem CID102673663
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)Cc2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-11-7-13(9-15(17)18-11)16(21)19-14(10-20)8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyAEYKRTAYRQMDJL-AWEZNQCLSA-N
XLogP2.38
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 ≤ 52.38
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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-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

2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 110205774
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide (CID 102673663) is 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)N[C@H](CO)Cc2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide?
The InChIKey is AEYKRTAYRQMDJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-7-13(9-15(17)18-11)16(21)19-14(10-20)8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide?
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 102673663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).