N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H30N4O5S — CID 175515050

IUPACN-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(C)cc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)c1
InChIInChI=1S/C26H30N4O5S/c1-17-14-19(34-5)16-20(15-17)35-22-9-6-10-23(28-22)36(32,33)29-25(31)21-8-7-12-27-24(21)30-13-11-18(2)26(30,3)4/h6-10,12,14-16,18H,11,13H2,1-5H3,(H,29,31)
InChIKeyUPTCWKHGZPXWBL-UHFFFAOYSA-N
MW510.62 g/mol
LogP4.33
Rot. Bonds7

About N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515050) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515050
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
IUPAC NameN-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(C)cc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)c1
InChIInChI=1S/C26H30N4O5S/c1-17-14-19(34-5)16-20(15-17)35-22-9-6-10-23(28-22)36(32,33)29-25(31)21-8-7-12-27-24(21)30-13-11-18(2)26(30,3)4/h6-10,12,14-16,18H,11,13H2,1-5H3,(H,29,31)
InChIKeyUPTCWKHGZPXWBL-UHFFFAOYSA-N
XLogP4.33
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515050) is N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1cc(C)cc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)c1.
What is the InChIKey of N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is UPTCWKHGZPXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-17-14-19(34-5)16-20(15-17)35-22-9-6-10-23(28-22)36(32,33)29-25(31)21-8-7-12-27-24(21)30-13-11-18(2)26(30,3)4/h6-10,12,14-16,18H,11,13H2,1-5H3,(H,29,31).
What are the key properties of N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).