N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide

C16H23N3O4S — CID 72916028

IUPACN-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCS(=O)(=O)N1C[C@H](NC(=O)CCn2ccccc2=O)[C@@H](C2CC2)C1
InChIInChI=1S/C16H23N3O4S/c1-24(22,23)19-10-13(12-5-6-12)14(11-19)17-15(20)7-9-18-8-3-2-4-16(18)21/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,17,20)/t13-,14+/m1/s1
InChIKeyBQPLLRXUPCDOQA-KGLIPLIRSA-N
MW353.44 g/mol
LogP0.02
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide

N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 72916028) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID72916028
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCS(=O)(=O)N1C[C@H](NC(=O)CCn2ccccc2=O)[C@@H](C2CC2)C1
InChIInChI=1S/C16H23N3O4S/c1-24(22,23)19-10-13(12-5-6-12)14(11-19)17-15(20)7-9-18-8-3-2-4-16(18)21/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,17,20)/t13-,14+/m1/s1
InChIKeyBQPLLRXUPCDOQA-KGLIPLIRSA-N
XLogP0.02
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide (CID 72916028) is N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide is CS(=O)(=O)N1C[C@H](NC(=O)CCn2ccccc2=O)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is BQPLLRXUPCDOQA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-24(22,23)19-10-13(12-5-6-12)14(11-19)17-15(20)7-9-18-8-3-2-4-16(18)21/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,17,20)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 353.44 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 72916028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).