3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide

C21H26N4O3 — CID 70801495

IUPAC3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCNC(=O)c1ccc(C)c(-c2cnc3c(c2)[nH]c(=O)n3C(C)(C)C)c1
InChIInChI=1S/C21H26N4O3/c1-13-6-7-14(19(26)22-8-9-28-5)10-16(13)15-11-17-18(23-12-15)25(20(27)24-17)21(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H,22,26)(H,24,27)
InChIKeyRXQXSEPYJBBBMP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.83
Rot. Bonds5

About 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide

3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide (PubChem CID 70801495) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide
PubChem CID70801495
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCNC(=O)c1ccc(C)c(-c2cnc3c(c2)[nH]c(=O)n3C(C)(C)C)c1
InChIInChI=1S/C21H26N4O3/c1-13-6-7-14(19(26)22-8-9-28-5)10-16(13)15-11-17-18(23-12-15)25(20(27)24-17)21(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H,22,26)(H,24,27)
InChIKeyRXQXSEPYJBBBMP-UHFFFAOYSA-N
XLogP2.83
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133345531
6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4116151
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]-N-(2-methoxyethyl)isoquinoline-6-carboxamide
CID 166085876
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide?
The IUPAC name of 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide (CID 70801495) is 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide.
What is the SMILES notation for 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide?
The canonical SMILES for 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide is COCCNC(=O)c1ccc(C)c(-c2cnc3c(c2)[nH]c(=O)n3C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide?
The InChIKey is RXQXSEPYJBBBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-6-7-14(19(26)22-8-9-28-5)10-16(13)15-11-17-18(23-12-15)25(20(27)24-17)21(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H,22,26)(H,24,27).
What are the key properties of 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide?
3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl)-N-(2-methoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 70801495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).