(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide

C16H15N3O2 — CID 40500966

IUPAC(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2/c20-15-10-12(11-19(15)14-4-2-1-3-5-14)16(21)18-13-6-8-17-9-7-13/h1-9,12H,10-11H2,(H,17,18,21)/t12-/m0/s1
InChIKeyXDPGWVBSFAYYJQ-LBPRGKRZSA-N
MW281.31 g/mol
LogP2.07
Rot. Bonds3

About (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide

(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 40500966) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID40500966
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2/c20-15-10-12(11-19(15)14-4-2-1-3-5-14)16(21)18-13-6-8-17-9-7-13/h1-9,12H,10-11H2,(H,17,18,21)/t12-/m0/s1
InChIKeyXDPGWVBSFAYYJQ-LBPRGKRZSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 40500966) is (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide is O=C(Nc1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is XDPGWVBSFAYYJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-10-12(11-19(15)14-4-2-1-3-5-14)16(21)18-13-6-8-17-9-7-13/h1-9,12H,10-11H2,(H,17,18,21)/t12-/m0/s1.
What are the key properties of (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40500966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).