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

C20H23N5O3 — CID 3719946

IUPACN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide
SMILESCc1cc(C)cc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H23N5O3/c1-12-9-13(2)11-14(10-12)21-17(26)7-8-18(27)22-16-6-5-15-19(23-16)25(4)20(28)24(15)3/h5-6,9-11H,7-8H2,1-4H3,(H,21,26)(H,22,23,27)
InChIKeyYCDBGFGXHFGCKC-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.25
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide (PubChem CID 3719946) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide
PubChem CID3719946
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide
SMILESCc1cc(C)cc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H23N5O3/c1-12-9-13(2)11-14(10-12)21-17(26)7-8-18(27)22-16-6-5-15-19(23-16)25(4)20(28)24(15)3/h5-6,9-11H,7-8H2,1-4H3,(H,21,26)(H,22,23,27)
InChIKeyYCDBGFGXHFGCKC-UHFFFAOYSA-N
XLogP2.25
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
CID 3848501
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-(4-propan-2-ylphenyl)butanediamide
CID 3438653
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)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 5191877
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
CID 110772303
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide
CID 139010316
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 70981898
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
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide
CID 3435912
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)-N-(3,5-dimethylphenyl)acetamide
CID 718049

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide (CID 3719946) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide is Cc1cc(C)cc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide?
The InChIKey is YCDBGFGXHFGCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-9-13(2)11-14(10-12)21-17(26)7-8-18(27)22-16-6-5-15-19(23-16)25(4)20(28)24(15)3/h5-6,9-11H,7-8H2,1-4H3,(H,21,26)(H,22,23,27).
What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide?
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide has a molecular weight of 381.44 g/mol, XLogP of 2.25, 5 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'-(3,5-dimethylphenyl)butanediamide is sourced from PubChem (CID 3719946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).