N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide

C22H27N5O3 — CID 5170214

IUPACN-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide
SMILESCCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)Nc3cccc(C)c3C)ccc21
InChIInChI=1S/C22H27N5O3/c1-5-26-17-10-11-18(25-21(17)27(6-2)22(26)30)24-20(29)13-12-19(28)23-16-9-7-8-14(3)15(16)4/h7-11H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,25,29)
InChIKeyFMDMMBVLOFZOKI-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.21
Rot. Bonds7

About N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide

N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide (PubChem CID 5170214) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide
PubChem CID5170214
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide
SMILESCCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)Nc3cccc(C)c3C)ccc21
InChIInChI=1S/C22H27N5O3/c1-5-26-17-10-11-18(25-21(17)27(6-2)22(26)30)24-20(29)13-12-19(28)23-16-9-7-8-14(3)15(16)4/h7-11H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,25,29)
InChIKeyFMDMMBVLOFZOKI-UHFFFAOYSA-N
XLogP3.21
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
CID 3959587
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 5107241
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
CID 3928074
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369
N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153157
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-(5-ethylindol-1-yl)acetamide
CID 110831113
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide?
The IUPAC name of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide (CID 5170214) is N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide?
The canonical SMILES for N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide is CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)Nc3cccc(C)c3C)ccc21.
What is the InChIKey of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide?
The InChIKey is FMDMMBVLOFZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-5-26-17-10-11-18(25-21(17)27(6-2)22(26)30)24-20(29)13-12-19(28)23-16-9-7-8-14(3)15(16)4/h7-11H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,25,29).
What are the key properties of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide?
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide has a molecular weight of 409.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide is sourced from PubChem (CID 5170214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).