6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C28H28N4O4S — CID 175515446

IUPAC6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3cccc4ccccc34)ccc2C(=O)NS(=O)(=O)c2ccc[nH]c2=O)C1(C)C
InChIInChI=1S/C28H28N4O4S/c1-18-15-17-32(28(18,2)3)25-22(26(33)31-37(35,36)24-12-7-16-29-27(24)34)13-14-23(30-25)21-11-6-9-19-8-4-5-10-20(19)21/h4-14,16,18H,15,17H2,1-3H3,(H,29,34)(H,31,33)
InChIKeyLHQVJACLVUUWTG-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.33
Rot. Bonds5

About 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515446) has the molecular formula C28H28N4O4S and a molecular weight of 516.62 g/mol. Its IUPAC name is 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515446
Molecular FormulaC28H28N4O4S
Molecular Weight516.62 g/mol
Exact Mass516.18
IUPAC Name6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3cccc4ccccc34)ccc2C(=O)NS(=O)(=O)c2ccc[nH]c2=O)C1(C)C
InChIInChI=1S/C28H28N4O4S/c1-18-15-17-32(28(18,2)3)25-22(26(33)31-37(35,36)24-12-7-16-29-27(24)34)13-14-23(30-25)21-11-6-9-19-8-4-5-10-20(19)21/h4-14,16,18H,15,17H2,1-3H3,(H,29,34)(H,31,33)
InChIKeyLHQVJACLVUUWTG-UHFFFAOYSA-N
XLogP4.33
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515446) is 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(-c3cccc4ccccc34)ccc2C(=O)NS(=O)(=O)c2ccc[nH]c2=O)C1(C)C.
What is the InChIKey of 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is LHQVJACLVUUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S/c1-18-15-17-32(28(18,2)3)25-22(26(33)31-37(35,36)24-12-7-16-29-27(24)34)13-14-23(30-25)21-11-6-9-19-8-4-5-10-20(19)21/h4-14,16,18H,15,17H2,1-3H3,(H,29,34)(H,31,33).
What are the key properties of 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).