N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide

C17H18N4O2 — CID 129248472

IUPACN-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1cnc2c(c1)n(Cc1ccccc1)c(=O)n2C
InChIInChI=1S/C17H18N4O2/c1-12(22)19(2)14-9-15-16(18-10-14)20(3)17(23)21(15)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyYHMFTQLGFMJFQX-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.77
Rot. Bonds3

About N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide

N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide (PubChem CID 129248472) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
PubChem CID129248472
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1cnc2c(c1)n(Cc1ccccc1)c(=O)n2C
InChIInChI=1S/C17H18N4O2/c1-12(22)19(2)14-9-15-16(18-10-14)20(3)17(23)21(15)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyYHMFTQLGFMJFQX-UHFFFAOYSA-N
XLogP1.77
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
CID 129248593
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide
CID 129248502
5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride
CID 139446985
methyl 3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxylate
CID 59926336
methyl-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]carbamic acid
CID 129139446
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244
1-benzyl-8-bromo-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
CID 132585713
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
CID 145332848
9-benzyl-1,7-dimethylpurine-6,8-dione
CID 163811964
3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53097001
6-(2-fluoro-3-methylphenyl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134490060

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide?
The IUPAC name of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide (CID 129248472) is N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide?
The canonical SMILES for N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide is CC(=O)N(C)c1cnc2c(c1)n(Cc1ccccc1)c(=O)n2C.
What is the InChIKey of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide?
The InChIKey is YHMFTQLGFMJFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)19(2)14-9-15-16(18-10-14)20(3)17(23)21(15)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide?
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide has a molecular weight of 310.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide is sourced from PubChem (CID 129248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).