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N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H33N5O4S — CID 175515266

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C26H33N5O4S/c1-16-12-14-31(26(16,4)5)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-15-25(2,3)13-11-20(18)32/h6-10,15-16H,11-14H2,1-5H3,(H2,27,29)(H,30,33)
InChIKeyWAVOATOMIQOHEU-UHFFFAOYSA-N
MW511.65 g/mol
LogP3.57
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515266) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515266
Molecular FormulaC26H33N5O4S
Molecular Weight511.65 g/mol
Exact Mass511.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C26H33N5O4S/c1-16-12-14-31(26(16,4)5)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-15-25(2,3)13-11-20(18)32/h6-10,15-16H,11-14H2,1-5H3,(H2,27,29)(H,30,33)
InChIKeyWAVOATOMIQOHEU-UHFFFAOYSA-N
XLogP3.57
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515266) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WAVOATOMIQOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-16-12-14-31(26(16,4)5)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-15-25(2,3)13-11-20(18)32/h6-10,15-16H,11-14H2,1-5H3,(H2,27,29)(H,30,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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