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

C18H19N5O3 — CID 3848501

IUPACN'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C18H19N5O3/c1-22-13-8-9-14(21-17(13)23(2)18(22)26)20-16(25)11-10-15(24)19-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyDGIVNLWVDWDYDV-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.63
Rot. Bonds5

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

N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide (PubChem CID 3848501) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
PubChem CID3848501
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C18H19N5O3/c1-22-13-8-9-14(21-17(13)23(2)18(22)26)20-16(25)11-10-15(24)19-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyDGIVNLWVDWDYDV-UHFFFAOYSA-N
XLogP1.63
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(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)-N'-(3,5-dimethylphenyl)butanediamide
CID 3719946
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-(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
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-(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-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide
CID 15462531
N-phenyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 5308165

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide?
The IUPAC name of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide (CID 3848501) is N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide.
What is the SMILES notation for N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide?
The canonical SMILES for N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide is Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide?
The InChIKey is DGIVNLWVDWDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-22-13-8-9-14(21-17(13)23(2)18(22)26)20-16(25)11-10-15(24)19-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,24)(H,20,21,25).
What are the key properties of N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide?
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide has a molecular weight of 353.38 g/mol, XLogP of 1.63, 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-phenylbutanediamide is sourced from PubChem (CID 3848501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).