4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C24H27N5O4S — CID 23075725

IUPAC4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCC(C)C3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17-7-9-20(10-8-17)34(31,32)28-22-23(33-16-19-6-3-11-25-13-19)27-21(14-26-22)24(30)29-12-4-5-18(2)15-29/h3,6-11,13-14,18H,4-5,12,15-16H2,1-2H3,(H,26,28)
InChIKeyIUHTZRCGTURMNM-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.43
Rot. Bonds7

About 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075725) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075725
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCC(C)C3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17-7-9-20(10-8-17)34(31,32)28-22-23(33-16-19-6-3-11-25-13-19)27-21(14-26-22)24(30)29-12-4-5-18(2)15-29/h3,6-11,13-14,18H,4-5,12,15-16H2,1-2H3,(H,26,28)
InChIKeyIUHTZRCGTURMNM-UHFFFAOYSA-N
XLogP3.43
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075725) is 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCC(C)C3)nc2OCc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is IUHTZRCGTURMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17-7-9-20(10-8-17)34(31,32)28-22-23(33-16-19-6-3-11-25-13-19)27-21(14-26-22)24(30)29-12-4-5-18(2)15-29/h3,6-11,13-14,18H,4-5,12,15-16H2,1-2H3,(H,26,28).
What are the key properties of 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 481.58 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).