N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H34N4O4S — CID 131989575

IUPACN-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)C2CC[C@H](N)C2)c(N2C[C@@H](C)CC2(C)C)n1
InChIInChI=1S/C25H34N4O4S/c1-16-14-25(2,3)29(15-16)23-20(24(30)28-34(31,32)18-10-9-17(26)13-18)11-12-21(27-23)19-7-5-6-8-22(19)33-4/h5-8,11-12,16-18H,9-10,13-15,26H2,1-4H3,(H,28,30)/t16-,17-,18?/m0/s1
InChIKeyPLACIWZBBBEWAX-UBFHEZILSA-N
MW486.64 g/mol
LogP3.32
Rot. Bonds6

About N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 131989575) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID131989575
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)C2CC[C@H](N)C2)c(N2C[C@@H](C)CC2(C)C)n1
InChIInChI=1S/C25H34N4O4S/c1-16-14-25(2,3)29(15-16)23-20(24(30)28-34(31,32)18-10-9-17(26)13-18)11-12-21(27-23)19-7-5-6-8-22(19)33-4/h5-8,11-12,16-18H,9-10,13-15,26H2,1-4H3,(H,28,30)/t16-,17-,18?/m0/s1
InChIKeyPLACIWZBBBEWAX-UBFHEZILSA-N
XLogP3.32
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 131989575) is N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)NS(=O)(=O)C2CC[C@H](N)C2)c(N2C[C@@H](C)CC2(C)C)n1.
What is the InChIKey of N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is PLACIWZBBBEWAX-UBFHEZILSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-16-14-25(2,3)29(15-16)23-20(24(30)28-34(31,32)18-10-9-17(26)13-18)11-12-21(27-23)19-7-5-6-8-22(19)33-4/h5-8,11-12,16-18H,9-10,13-15,26H2,1-4H3,(H,28,30)/t16-,17-,18?/m0/s1.
What are the key properties of N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-aminocyclopentyl]sulfonyl-6-(2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131989575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).