N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide

C18H17N3O4S — CID 90018711

IUPACN-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c[nH]c1=O
InChIInChI=1S/C18H17N3O4S/c1-12-8-13(10-20-18(12)22)16-9-14(21-26(2,23)24)5-6-17(16)25-15-4-3-7-19-11-15/h3-11,21H,1-2H3,(H,20,22)
InChIKeySPNMVNJTTLGFEX-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide

N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (PubChem CID 90018711) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
PubChem CID90018711
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c[nH]c1=O
InChIInChI=1S/C18H17N3O4S/c1-12-8-13(10-20-18(12)22)16-9-14(21-26(2,23)24)5-6-17(16)25-15-4-3-7-19-11-15/h3-11,21H,1-2H3,(H,20,22)
InChIKeySPNMVNJTTLGFEX-UHFFFAOYSA-N
XLogP2.91
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (CID 90018711) is N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c[nH]c1=O.
What is the InChIKey of N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
The InChIKey is SPNMVNJTTLGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-8-13(10-20-18(12)22)16-9-14(21-26(2,23)24)5-6-17(16)25-15-4-3-7-19-11-15/h3-11,21H,1-2H3,(H,20,22).
What are the key properties of N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is sourced from PubChem (CID 90018711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).