N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C27H37N5O3S — CID 121250497

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c(/C=C/C3CC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C27H37N5O3S/c1-17-15-27(5,6)32(16-17)24-20(25(33)31-36(34,35)22-9-7-8-21(28)29-22)14-19(13-12-18-10-11-18)23(30-24)26(2,3)4/h7-9,12-14,17-18H,10-11,15-16H2,1-6H3,(H2,28,29)(H,31,33)/b13-12+
InChIKeyFPSYSLWYOBMRNJ-OUKQBFOZSA-N
MW511.69 g/mol
LogP4.52
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250497) has the molecular formula C27H37N5O3S and a molecular weight of 511.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121250497
Molecular FormulaC27H37N5O3S
Molecular Weight511.69 g/mol
Exact Mass511.26
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c(/C=C/C3CC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C27H37N5O3S/c1-17-15-27(5,6)32(16-17)24-20(25(33)31-36(34,35)22-9-7-8-21(28)29-22)14-19(13-12-18-10-11-18)23(30-24)26(2,3)4/h7-9,12-14,17-18H,10-11,15-16H2,1-6H3,(H2,28,29)(H,31,33)/b13-12+
InChIKeyFPSYSLWYOBMRNJ-OUKQBFOZSA-N
XLogP4.52
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.69
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(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-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250497) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nc(C(C)(C)C)c(/C=C/C3CC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is FPSYSLWYOBMRNJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H37N5O3S/c1-17-15-27(5,6)32(16-17)24-20(25(33)31-36(34,35)22-9-7-8-21(28)29-22)14-19(13-12-18-10-11-18)23(30-24)26(2,3)4/h7-9,12-14,17-18H,10-11,15-16H2,1-6H3,(H2,28,29)(H,31,33)/b13-12+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 511.69 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopropylethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).