N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide

C12H18N4O2S — CID 156599914

IUPACN-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
SMILESCCCn1c(CNS(=O)(=O)CC)nc2cccnc21
InChIInChI=1S/C12H18N4O2S/c1-3-8-16-11(9-14-19(17,18)4-2)15-10-6-5-7-13-12(10)16/h5-7,14H,3-4,8-9H2,1-2H3
InChIKeyYTIPAQHWLOVEPB-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.28
Rot. Bonds6

About N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide

N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide (PubChem CID 156599914) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
PubChem CID156599914
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
SMILESCCCn1c(CNS(=O)(=O)CC)nc2cccnc21
InChIInChI=1S/C12H18N4O2S/c1-3-8-16-11(9-14-19(17,18)4-2)15-10-6-5-7-13-12(10)16/h5-7,14H,3-4,8-9H2,1-2H3
InChIKeyYTIPAQHWLOVEPB-UHFFFAOYSA-N
XLogP1.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
CID 53021032
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide (CID 156599914) is N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide is CCCn1c(CNS(=O)(=O)CC)nc2cccnc21.
What is the InChIKey of N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide?
The InChIKey is YTIPAQHWLOVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-8-16-11(9-14-19(17,18)4-2)15-10-6-5-7-13-12(10)16/h5-7,14H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide?
N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 156599914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).