N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H28N4O4S — CID 121251383

IUPACN-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1
InChIInChI=1S/C25H28N4O4S/c1-17-8-5-9-19(14-17)33-21-11-6-12-22(27-21)34(31,32)28-24(30)20-10-7-13-26-23(20)29-16-18(2)15-25(29,3)4/h5-14,18H,15-16H2,1-4H3,(H,28,30)
InChIKeySRALHQFUSDUSDC-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.32
Rot. Bonds6

About N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251383) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121251383
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1
InChIInChI=1S/C25H28N4O4S/c1-17-8-5-9-19(14-17)33-21-11-6-12-22(27-21)34(31,32)28-24(30)20-10-7-13-26-23(20)29-16-18(2)15-25(29,3)4/h5-14,18H,15-16H2,1-4H3,(H,28,30)
InChIKeySRALHQFUSDUSDC-UHFFFAOYSA-N
XLogP4.32
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251383) is N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1.
What is the InChIKey of N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is SRALHQFUSDUSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-17-8-5-9-19(14-17)33-21-11-6-12-22(27-21)34(31,32)28-24(30)20-10-7-13-26-23(20)29-16-18(2)15-25(29,3)4/h5-14,18H,15-16H2,1-4H3,(H,28,30).
What are the key properties of N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).