(4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one

C12H14ClN3O — CID 97084969

IUPAC(4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1C[C@H](Nc2ccncc2Cl)CN1C1CC1
InChIInChI=1S/C12H14ClN3O/c13-10-6-14-4-3-11(10)15-8-5-12(17)16(7-8)9-1-2-9/h3-4,6,8-9H,1-2,5,7H2,(H,14,15)/t8-/m0/s1
InChIKeyWWGVZJSUPIIDQM-QMMMGPOBSA-N
MW251.72 g/mol
LogP1.91
Rot. Bonds3

About (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one

(4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one (PubChem CID 97084969) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one
PubChem CID97084969
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1C[C@H](Nc2ccncc2Cl)CN1C1CC1
InChIInChI=1S/C12H14ClN3O/c13-10-6-14-4-3-11(10)15-8-5-12(17)16(7-8)9-1-2-9/h3-4,6,8-9H,1-2,5,7H2,(H,14,15)/t8-/m0/s1
InChIKeyWWGVZJSUPIIDQM-QMMMGPOBSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one (CID 97084969) is (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one is O=C1C[C@H](Nc2ccncc2Cl)CN1C1CC1.
What is the InChIKey of (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is WWGVZJSUPIIDQM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-6-14-4-3-11(10)15-8-5-12(17)16(7-8)9-1-2-9/h3-4,6,8-9H,1-2,5,7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one?
(4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 251.72 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3-chloro-4-pyridinyl)amino]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 97084969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).