2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide

C29H38N4O4S — CID 138545848

IUPAC2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3CC45C(CCC34C)C5(C)C)n2)C(C)(C)C1
InChIInChI=1S/C29H38N4O4S/c1-18-15-26(2,3)33(17-18)24-19(9-8-14-30-24)25(34)32-38(35,36)23-11-7-10-22(31-23)37-21-16-29-20(27(29,4)5)12-13-28(21,29)6/h7-11,14,18,20-21H,12-13,15-17H2,1-6H3,(H,32,34)
InChIKeyJZOYBNKMJDKHPO-UHFFFAOYSA-N
MW538.71 g/mol
LogP4.81
Rot. Bonds6

About 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide

2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide (PubChem CID 138545848) has the molecular formula C29H38N4O4S and a molecular weight of 538.71 g/mol. Its IUPAC name is 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide
PubChem CID138545848
Molecular FormulaC29H38N4O4S
Molecular Weight538.71 g/mol
Exact Mass538.26
IUPAC Name2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3CC45C(CCC34C)C5(C)C)n2)C(C)(C)C1
InChIInChI=1S/C29H38N4O4S/c1-18-15-26(2,3)33(17-18)24-19(9-8-14-30-24)25(34)32-38(35,36)23-11-7-10-22(31-23)37-21-16-29-20(27(29,4)5)12-13-28(21,29)6/h7-11,14,18,20-21H,12-13,15-17H2,1-6H3,(H,32,34)
InChIKeyJZOYBNKMJDKHPO-UHFFFAOYSA-N
XLogP4.81
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.71
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121254179
N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253072
N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253452
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252682
N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251383
N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427542
N-[[6-(cyclopenta-1,4-dien-1-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427230
N-[[6-[(3S)-1-benzylpyrrolidin-3-yl]oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
CID 159066439
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250599
N-[[6-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide (CID 138545848) is 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3CC45C(CCC34C)C5(C)C)n2)C(C)(C)C1.
What is the InChIKey of 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?
The InChIKey is JZOYBNKMJDKHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4S/c1-18-15-26(2,3)33(17-18)24-19(9-8-14-30-24)25(34)32-38(35,36)23-11-7-10-22(31-23)37-21-16-29-20(27(29,4)5)12-13-28(21,29)6/h7-11,14,18,20-21H,12-13,15-17H2,1-6H3,(H,32,34).
What are the key properties of 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?
2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide has a molecular weight of 538.71 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethylpyrrolidin-1-yl)-N-[[6-[(2,2,6-trimethyl-7-tricyclo[4.2.0.01,3]octanyl)oxy]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 138545848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).