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

C18H18ClN5O3 — CID 3840359

IUPACN-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H18ClN5O3/c1-23-13-7-8-14(22-17(13)24(2)18(23)27)21-16(26)10-9-15(25)20-12-5-3-11(19)4-6-12/h3-8H,9-10H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyHMWZGIFTQJGREG-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.28
Rot. Bonds5

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

N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide (PubChem CID 3840359) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
PubChem CID3840359
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC NameN-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H18ClN5O3/c1-23-13-7-8-14(22-17(13)24(2)18(23)27)21-16(26)10-9-15(25)20-12-5-3-11(19)4-6-12/h3-8H,9-10H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyHMWZGIFTQJGREG-UHFFFAOYSA-N
XLogP2.28
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.28
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-(4-propan-2-ylphenyl)butanediamide
CID 3438653
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)-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)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
CID 4273533
N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide
CID 23857745
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
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
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 49169432
N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
CID 3959587
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide (CID 3840359) is N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide is Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
The InChIKey is HMWZGIFTQJGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-23-13-7-8-14(22-17(13)24(2)18(23)27)21-16(26)10-9-15(25)20-12-5-3-11(19)4-6-12/h3-8H,9-10H2,1-2H3,(H,20,25)(H,21,22,26).
What are the key properties of N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide has a molecular weight of 387.83 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide is sourced from PubChem (CID 3840359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).