3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide

C15H15ClN2O2 — CID 107861114

IUPAC3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-14-9-17-7-6-13(14)15(20)18-12(10-19)8-11-4-2-1-3-5-11/h1-7,9,12,19H,8,10H2,(H,18,20)/t12-/m1/s1
InChIKeyNYJPVFSVOBHEDE-GFCCVEGCSA-N
MW290.75 g/mol
LogP2.07
Rot. Bonds5

About 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide

3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 107861114) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
PubChem CID107861114
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-14-9-17-7-6-13(14)15(20)18-12(10-19)8-11-4-2-1-3-5-11/h1-7,9,12,19H,8,10H2,(H,18,20)/t12-/m1/s1
InChIKeyNYJPVFSVOBHEDE-GFCCVEGCSA-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

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Related Compounds

4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (CID 107861114) is 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is NYJPVFSVOBHEDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-9-17-7-6-13(14)15(20)18-12(10-19)8-11-4-2-1-3-5-11/h1-7,9,12,19H,8,10H2,(H,18,20)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-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 3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 107861114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).