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

C23H32N4O4S — CID 175514887

IUPACN-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)CCOc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1
InChIInChI=1S/C23H32N4O4S/c1-16(2)12-15-31-19-9-6-10-20(25-19)32(29,30)26-22(28)18-8-7-13-24-21(18)27-14-11-17(3)23(27,4)5/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,26,28)
InChIKeyINBDNONPOQKCPV-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.64
Rot. Bonds8

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

N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514887) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514887
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)CCOc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1
InChIInChI=1S/C23H32N4O4S/c1-16(2)12-15-31-19-9-6-10-20(25-19)32(29,30)26-22(28)18-8-7-13-24-21(18)27-14-11-17(3)23(27,4)5/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,26,28)
InChIKeyINBDNONPOQKCPV-UHFFFAOYSA-N
XLogP3.64
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514887) is N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)CCOc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1.
What is the InChIKey of N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is INBDNONPOQKCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-16(2)12-15-31-19-9-6-10-20(25-19)32(29,30)26-22(28)18-8-7-13-24-21(18)27-14-11-17(3)23(27,4)5/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,26,28).
What are the key properties of N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).