N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide

C21H25N5O3 — CID 3438653

IUPACN'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide
SMILESCC(C)c1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H25N5O3/c1-13(2)14-5-7-15(8-6-14)22-18(27)11-12-19(28)23-17-10-9-16-20(24-17)26(4)21(29)25(16)3/h5-10,13H,11-12H2,1-4H3,(H,22,27)(H,23,24,28)
InChIKeyQTIPGMUREFJIDF-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.75
Rot. Bonds6

About N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide

N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide (PubChem CID 3438653) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide
PubChem CID3438653
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide
SMILESCC(C)c1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H25N5O3/c1-13(2)14-5-7-15(8-6-14)22-18(27)11-12-19(28)23-17-10-9-16-20(24-17)26(4)21(29)25(16)3/h5-10,13H,11-12H2,1-4H3,(H,22,27)(H,23,24,28)
InChIKeyQTIPGMUREFJIDF-UHFFFAOYSA-N
XLogP2.75
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
CID 3840359
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
CID 3848501
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide
CID 3719946
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
CID 3928074
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 70981898
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
CID 4273533
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide;4-propan-2-ylaniline
CID 161447543
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide
CID 167988513
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide?
The IUPAC name of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide (CID 3438653) is N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide.
What is the SMILES notation for N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide?
The canonical SMILES for N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide is CC(C)c1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide?
The InChIKey is QTIPGMUREFJIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13(2)14-5-7-15(8-6-14)22-18(27)11-12-19(28)23-17-10-9-16-20(24-17)26(4)21(29)25(16)3/h5-10,13H,11-12H2,1-4H3,(H,22,27)(H,23,24,28).
What are the key properties of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide?
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide has a molecular weight of 395.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide is sourced from PubChem (CID 3438653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).