N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C23H28N4O4S — CID 175514772

IUPACN-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3CC=CC3)n2)C1(C)C
InChIInChI=1S/C23H28N4O4S/c1-16-13-15-27(23(16,2)3)21-18(10-7-14-24-21)22(28)26-32(29,30)20-12-6-11-19(25-20)31-17-8-4-5-9-17/h4-7,10-12,14,16-17H,8-9,13,15H2,1-3H3,(H,26,28)
InChIKeyXHZVPXQRECLXCR-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.32
Rot. Bonds6

About N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514772) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514772
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3CC=CC3)n2)C1(C)C
InChIInChI=1S/C23H28N4O4S/c1-16-13-15-27(23(16,2)3)21-18(10-7-14-24-21)22(28)26-32(29,30)20-12-6-11-19(25-20)31-17-8-4-5-9-17/h4-7,10-12,14,16-17H,8-9,13,15H2,1-3H3,(H,26,28)
InChIKeyXHZVPXQRECLXCR-UHFFFAOYSA-N
XLogP3.32
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514772) is N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3CC=CC3)n2)C1(C)C.
What is the InChIKey of N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is XHZVPXQRECLXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16-13-15-27(23(16,2)3)21-18(10-7-14-24-21)22(28)26-32(29,30)20-12-6-11-19(25-20)31-17-8-4-5-9-17/h4-7,10-12,14,16-17H,8-9,13,15H2,1-3H3,(H,26,28).
What are the key properties of N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).