N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide

C14H14N4O4S — CID 13392824

IUPACN-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1nc2[nH]c(=O)ccc2[nH]1
InChIInChI=1S/C14H14N4O4S/c1-22-11-7-8(18-23(2,20)21)3-4-9(11)13-15-10-5-6-12(19)16-14(10)17-13/h3-7,18H,1-2H3,(H2,15,16,17,19)
InChIKeyORNCBINIWGEWHD-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.30
Rot. Bonds4

About N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide

N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide (PubChem CID 13392824) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide
PubChem CID13392824
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1nc2[nH]c(=O)ccc2[nH]1
InChIInChI=1S/C14H14N4O4S/c1-22-11-7-8(18-23(2,20)21)3-4-9(11)13-15-10-5-6-12(19)16-14(10)17-13/h3-7,18H,1-2H3,(H2,15,16,17,19)
InChIKeyORNCBINIWGEWHD-UHFFFAOYSA-N
XLogP1.30
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide (CID 13392824) is N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1-c1nc2[nH]c(=O)ccc2[nH]1.
What is the InChIKey of N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide?
The InChIKey is ORNCBINIWGEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-22-11-7-8(18-23(2,20)21)3-4-9(11)13-15-10-5-6-12(19)16-14(10)17-13/h3-7,18H,1-2H3,(H2,15,16,17,19).
What are the key properties of N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide?
N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide has a molecular weight of 334.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(5-oxo-1,4-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 13392824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).