(2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide

C19H23N3O2 — CID 124734809

IUPAC(2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccncc1)[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-14-16(13-15-8-10-20-11-9-15)21-19(24)18-7-4-12-22(18)17-5-2-1-3-6-17/h1-3,5-6,8-11,16,18,23H,4,7,12-14H2,(H,21,24)/t16-,18-/m0/s1
InChIKeyMTWZBGZXXBQNCK-WMZOPIPTSA-N
MW325.41 g/mol
LogP1.77
Rot. Bonds6

About (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide (PubChem CID 124734809) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide
PubChem CID124734809
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccncc1)[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-14-16(13-15-8-10-20-11-9-15)21-19(24)18-7-4-12-22(18)17-5-2-1-3-6-17/h1-3,5-6,8-11,16,18,23H,4,7,12-14H2,(H,21,24)/t16-,18-/m0/s1
InChIKeyMTWZBGZXXBQNCK-WMZOPIPTSA-N
XLogP1.77
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 58609613
(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 46844065
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-1-pyridin-3-ylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 102246435
benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 10746229
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
(2R)-1-phenyl-N-pyrazin-2-ylsulfonylpyrrolidine-2-carboxamide
CID 124733555

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide (CID 124734809) is (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide is O=C(N[C@H](CO)Cc1ccncc1)[C@@H]1CCCN1c1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is MTWZBGZXXBQNCK-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-14-16(13-15-8-10-20-11-9-15)21-19(24)18-7-4-12-22(18)17-5-2-1-3-6-17/h1-3,5-6,8-11,16,18,23H,4,7,12-14H2,(H,21,24)/t16-,18-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124734809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).