(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide

C19H21N3O2 — CID 25288656

IUPAC(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H21N3O2/c23-18(21-11-4-5-15-8-12-20-13-9-15)17-10-14-22(19(17)24)16-6-2-1-3-7-16/h1-3,6-9,12-13,17H,4-5,10-11,14H2,(H,21,23)/t17-/m0/s1
InChIKeyWQNGJTMNCZPWOP-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.18
Rot. Bonds6

About (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide

(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 25288656) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID25288656
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H21N3O2/c23-18(21-11-4-5-15-8-12-20-13-9-15)17-10-14-22(19(17)24)16-6-2-1-3-7-16/h1-3,6-9,12-13,17H,4-5,10-11,14H2,(H,21,23)/t17-/m0/s1
InChIKeyWQNGJTMNCZPWOP-KRWDZBQOSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 95056108
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 55833403
(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 92711359
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829175
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829174
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97268778
N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874

Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide (CID 25288656) is (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide is O=C(NCCCc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is WQNGJTMNCZPWOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-11-4-5-15-8-12-20-13-9-15)17-10-14-22(19(17)24)16-6-2-1-3-7-16/h1-3,6-9,12-13,17H,4-5,10-11,14H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide?
(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 25288656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).