(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C17H22N4O3 — CID 97352252

IUPAC(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ncccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H22N4O3/c1-11(22)19-16-14(7-4-8-18-16)20-17(24)12-9-15(23)21(10-12)13-5-2-3-6-13/h4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,20,24)(H,18,19,22)/t12-/m0/s1
InChIKeyPXXHZTTUVBJPDW-LBPRGKRZSA-N
MW330.39 g/mol
LogP1.77
Rot. Bonds4

About (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97352252) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97352252
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ncccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H22N4O3/c1-11(22)19-16-14(7-4-8-18-16)20-17(24)12-9-15(23)21(10-12)13-5-2-3-6-13/h4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,20,24)(H,18,19,22)/t12-/m0/s1
InChIKeyPXXHZTTUVBJPDW-LBPRGKRZSA-N
XLogP1.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 75455550
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
(3R)-1-cyclopentyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364649
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567997
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55916981
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 97352252) is (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ncccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PXXHZTTUVBJPDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)19-16-14(7-4-8-18-16)20-17(24)12-9-15(23)21(10-12)13-5-2-3-6-13/h4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,20,24)(H,18,19,22)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).