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

C24H34N4O4S — CID 175515461

IUPACN-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCCC(C)(C)Oc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1
InChIInChI=1S/C24H34N4O4S/c1-7-14-23(3,4)32-19-11-8-12-20(26-19)33(30,31)27-22(29)18-10-9-15-25-21(18)28-16-13-17(2)24(28,5)6/h8-12,15,17H,7,13-14,16H2,1-6H3,(H,27,29)
InChIKeyLDSJWDUNHNXFEA-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.18
Rot. Bonds8

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

N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515461) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515461
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC NameN-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCCC(C)(C)Oc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1
InChIInChI=1S/C24H34N4O4S/c1-7-14-23(3,4)32-19-11-8-12-20(26-19)33(30,31)27-22(29)18-10-9-15-25-21(18)28-16-13-17(2)24(28,5)6/h8-12,15,17H,7,13-14,16H2,1-6H3,(H,27,29)
InChIKeyLDSJWDUNHNXFEA-UHFFFAOYSA-N
XLogP4.18
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(cyclopropylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515394
N-[[6-(2-methyl-2-pyrrol-1-ylpropoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515702
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514810
N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514887
N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514772
N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514707
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515042
N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515392
N-[[6-[(4-propan-2-ylphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514666
N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515434
N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514819
tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate
CID 175514891

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515461) is N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCCC(C)(C)Oc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1.
What is the InChIKey of N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is LDSJWDUNHNXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-7-14-23(3,4)32-19-11-8-12-20(26-19)33(30,31)27-22(29)18-10-9-15-25-21(18)28-16-13-17(2)24(28,5)6/h8-12,15,17H,7,13-14,16H2,1-6H3,(H,27,29).
What are the key properties of N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).