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

C22H21N5O3 — CID 3928074

IUPACN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3cccc4ccccc34)ccc21
InChIInChI=1S/C22H21N5O3/c1-26-17-10-11-18(25-21(17)27(2)22(26)30)24-20(29)13-12-19(28)23-16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyKETOVJDQWMYIMP-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.78
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide (PubChem CID 3928074) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
PubChem CID3928074
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3cccc4ccccc34)ccc21
InChIInChI=1S/C22H21N5O3/c1-26-17-10-11-18(25-21(17)27(2)22(26)30)24-20(29)13-12-19(28)23-16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyKETOVJDQWMYIMP-UHFFFAOYSA-N
XLogP2.78
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.78
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-(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-(4-propan-2-ylphenyl)butanediamide
CID 3438653
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
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
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylbutanamide
CID 26087298
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)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 5191877
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'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
CID 3959587
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
CID 4273533

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide (CID 3928074) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide is Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3cccc4ccccc34)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide?
The InChIKey is KETOVJDQWMYIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-26-17-10-11-18(25-21(17)27(2)22(26)30)24-20(29)13-12-19(28)23-16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,25,29).
What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide?
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide has a molecular weight of 403.44 g/mol, XLogP of 2.78, 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'-naphthalen-1-ylbutanediamide is sourced from PubChem (CID 3928074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).