2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide

C16H17ClN2O2 — CID 107862756

IUPAC2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H](CO)c2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-2-13-8-12(9-15(17)18-13)16(21)19-14(10-20)11-6-4-3-5-7-11/h3-9,14,20H,2,10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyJEIUPQLCZXUMFB-CQSZACIVSA-N
MW304.78 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 107862756) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
PubChem CID107862756
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H](CO)c2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-2-13-8-12(9-15(17)18-13)16(21)19-14(10-20)11-6-4-3-5-7-11/h3-9,14,20H,2,10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyJEIUPQLCZXUMFB-CQSZACIVSA-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-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]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

1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
CID 107864079
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 106156530
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide (CID 107862756) is 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide is CCc1cc(C(=O)N[C@H](CO)c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is JEIUPQLCZXUMFB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-13-8-12(9-15(17)18-13)16(21)19-14(10-20)11-6-4-3-5-7-11/h3-9,14,20H,2,10H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-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-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 107862756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).