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

C15H16N2O2 — CID 102673732

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C15H16N2O2/c18-11-14(10-12-4-2-1-3-5-12)17-15(19)13-6-8-16-9-7-13/h1-9,14,18H,10-11H2,(H,17,19)/t14-/m0/s1
InChIKeyLGNXKDLHCZSEPT-AWEZNQCLSA-N
MW256.31 g/mol
LogP1.41
Rot. Bonds5

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

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 102673732) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
PubChem CID102673732
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C15H16N2O2/c18-11-14(10-12-4-2-1-3-5-12)17-15(19)13-6-8-16-9-7-13/h1-9,14,18H,10-11H2,(H,17,19)/t14-/m0/s1
InChIKeyLGNXKDLHCZSEPT-AWEZNQCLSA-N
XLogP1.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
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
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide (CID 102673732) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccncc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is LGNXKDLHCZSEPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-11-14(10-12-4-2-1-3-5-12)17-15(19)13-6-8-16-9-7-13/h1-9,14,18H,10-11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 102673732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).