N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide

C19H21N3O3 — CID 70894299

IUPACN-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](C(=O)N1CCCC1)C(O)c1ccncc1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-17(14-8-10-20-11-9-14)16(19(25)22-12-4-5-13-22)21-18(24)15-6-2-1-3-7-15/h1-3,6-11,16-17,23H,4-5,12-13H2,(H,21,24)/t16-,17?/m1/s1
InChIKeyZDCHCZRYYYIDMV-TZHYSIJRSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide

N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide (PubChem CID 70894299) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide
PubChem CID70894299
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](C(=O)N1CCCC1)C(O)c1ccncc1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-17(14-8-10-20-11-9-14)16(19(25)22-12-4-5-13-22)21-18(24)15-6-2-1-3-7-15/h1-3,6-11,16-17,23H,4-5,12-13H2,(H,21,24)/t16-,17?/m1/s1
InChIKeyZDCHCZRYYYIDMV-TZHYSIJRSA-N
XLogP1.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)-4-methoxybenzamide
CID 68955974
2-(benzylamino)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 68956648
tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride
CID 141300138
N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane
CID 159961798
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
(2R,3S)-2-[(3,4-dichlorophenyl)methylamino]-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 161477369
2-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione;methane;hydrochloride
CID 162171387
tert-butyl N-[6-[[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]amino]-6-oxohexyl]carbamate;methane
CID 160672089
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide
CID 1110718
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide (CID 70894299) is N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide is O=C(N[C@@H](C(=O)N1CCCC1)C(O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide?
The InChIKey is ZDCHCZRYYYIDMV-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(14-8-10-20-11-9-14)16(19(25)22-12-4-5-13-22)21-18(24)15-6-2-1-3-7-15/h1-3,6-11,16-17,23H,4-5,12-13H2,(H,21,24)/t16-,17?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide?
N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 70894299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).