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

C20H22ClN5O3 — CID 3959587

IUPACN'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
SMILESCCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)Nc3ccccc3Cl)ccc21
InChIInChI=1S/C20H22ClN5O3/c1-3-25-15-9-10-16(24-19(15)26(4-2)20(25)29)23-18(28)12-11-17(27)22-14-8-6-5-7-13(14)21/h5-10H,3-4,11-12H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyMEQZCIPYEMBCLH-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.25
Rot. Bonds7

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

N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide (PubChem CID 3959587) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
PubChem CID3959587
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
SMILESCCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)Nc3ccccc3Cl)ccc21
InChIInChI=1S/C20H22ClN5O3/c1-3-25-15-9-10-16(24-19(15)26(4-2)20(25)29)23-18(28)12-11-17(27)22-14-8-6-5-7-13(14)21/h5-10H,3-4,11-12H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyMEQZCIPYEMBCLH-UHFFFAOYSA-N
XLogP3.25
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide
CID 5170214
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
CID 3928074
N-(2-chlorophenyl)hexanamide
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3-amino-N-(2-chlorophenyl)propanamide
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N-(2-chlorophenyl)-3-(ethylamino)propanamide
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N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38661995
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide (CID 3959587) is N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide is CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)Nc3ccccc3Cl)ccc21.
What is the InChIKey of N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
The InChIKey is MEQZCIPYEMBCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-3-25-15-9-10-16(24-19(15)26(4-2)20(25)29)23-18(28)12-11-17(27)22-14-8-6-5-7-13(14)21/h5-10H,3-4,11-12H2,1-2H3,(H,22,27)(H,23,24,28).
What are the key properties of N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide?
N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide has a molecular weight of 415.88 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide is sourced from PubChem (CID 3959587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).