6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide

C14H20N4O3S — CID 133130837

IUPAC6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(N)nc2)[C@H](C2CC2)C1
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)18-7-11(9-2-3-9)12(8-18)17-14(19)10-4-5-13(15)16-6-10/h4-6,9,11-12H,2-3,7-8H2,1H3,(H2,15,16)(H,17,19)/t11-,12+/m0/s1
InChIKeyLCLFXJAQWLUJSA-NWDGAFQWSA-N
MW324.41 g/mol
LogP0.06
Rot. Bonds4

About 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide

6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 133130837) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID133130837
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(N)nc2)[C@H](C2CC2)C1
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)18-7-11(9-2-3-9)12(8-18)17-14(19)10-4-5-13(15)16-6-10/h4-6,9,11-12H,2-3,7-8H2,1H3,(H2,15,16)(H,17,19)/t11-,12+/m0/s1
InChIKeyLCLFXJAQWLUJSA-NWDGAFQWSA-N
XLogP0.06
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 133110064
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 133128276
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 133126149
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-4-phenylbutanamide
CID 72901003
N-[(3aS,4S,7aR)-2-methylsulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040923
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-methylphenyl)propanamide
CID 133113007
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 72940330
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide
CID 97448947
6-amino-N-(3,3-difluorocyclobutyl)pyridine-3-carboxamide
CID 171037193
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 133130837) is 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide is CS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(N)nc2)[C@H](C2CC2)C1.
What is the InChIKey of 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is LCLFXJAQWLUJSA-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-22(20,21)18-7-11(9-2-3-9)12(8-18)17-14(19)10-4-5-13(15)16-6-10/h4-6,9,11-12H,2-3,7-8H2,1H3,(H2,15,16)(H,17,19)/t11-,12+/m0/s1.
What are the key properties of 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide?
6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133130837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).