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

C18H19ClN4O2 — CID 129248593

IUPACN-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
SMILESCN(C(=O)CCCl)c1cnc2c(c1)n(Cc1ccccc1)c(=O)n2C
InChIInChI=1S/C18H19ClN4O2/c1-21(16(24)8-9-19)14-10-15-17(20-11-14)22(2)18(25)23(15)12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyZAHPBNULWADFHC-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.38
Rot. Bonds5

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

N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide (PubChem CID 129248593) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
PubChem CID129248593
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
SMILESCN(C(=O)CCCl)c1cnc2c(c1)n(Cc1ccccc1)c(=O)n2C
InChIInChI=1S/C18H19ClN4O2/c1-21(16(24)8-9-19)14-10-15-17(20-11-14)22(2)18(25)23(15)12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyZAHPBNULWADFHC-UHFFFAOYSA-N
XLogP2.38
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
CID 129248472
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
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
methyl 3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxylate
CID 59926336
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methyl-N-phenylacetamide
CID 41157813
N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
CID 145332848
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
2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-methyl-N-phenylacetamide
CID 5132337
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
7-benzyl-9-methyl-6-phenoxypurin-8-one
CID 73293008

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide?
The IUPAC name of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide (CID 129248593) is N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide.
What is the SMILES notation for N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide?
The canonical SMILES for N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide is CN(C(=O)CCCl)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)-3-chloro-N-methylpropanamide?
The InChIKey is ZAHPBNULWADFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-21(16(24)8-9-19)14-10-15-17(20-11-14)22(2)18(25)23(15)12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide?
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide has a molecular weight of 358.83 g/mol, XLogP of 2.38, 5 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)-3-chloro-N-methylpropanamide is sourced from PubChem (CID 129248593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).