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

C15H15ClN2O2 — CID 102673906

IUPAC6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cccc(Cl)n1
InChIInChI=1S/C15H15ClN2O2/c16-14-8-4-7-13(18-14)15(20)17-12(10-19)9-11-5-2-1-3-6-11/h1-8,12,19H,9-10H2,(H,17,20)/t12-/m0/s1
InChIKeyUHTRPBFUMUGKEZ-LBPRGKRZSA-N
MW290.75 g/mol
LogP2.07
Rot. Bonds5

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

6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide (PubChem CID 102673906) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
PubChem CID102673906
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cccc(Cl)n1
InChIInChI=1S/C15H15ClN2O2/c16-14-8-4-7-13(18-14)15(20)17-12(10-19)9-11-5-2-1-3-6-11/h1-8,12,19H,9-10H2,(H,17,20)/t12-/m0/s1
InChIKeyUHTRPBFUMUGKEZ-LBPRGKRZSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
CID 71614579

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide (CID 102673906) is 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The InChIKey is UHTRPBFUMUGKEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-8-4-7-13(18-14)15(20)17-12(10-19)9-11-5-2-1-3-6-11/h1-8,12,19H,9-10H2,(H,17,20)/t12-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 102673906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).