2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide

C21H26N4O3 — CID 58024337

IUPAC2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide
SMILESCc1c(C)c(Oc2ccnc3c2[nH]c(=O)n3C)c(C)c(C(=O)NC(C)C)c1C
InChIInChI=1S/C21H26N4O3/c1-10(2)23-20(26)16-12(4)11(3)13(5)18(14(16)6)28-15-8-9-22-19-17(15)24-21(27)25(19)7/h8-10H,1-7H3,(H,23,26)(H,24,27)
InChIKeyHADBXMCSEYBMST-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.43
Rot. Bonds4

About 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide

2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide (PubChem CID 58024337) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide
PubChem CID58024337
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide
SMILESCc1c(C)c(Oc2ccnc3c2[nH]c(=O)n3C)c(C)c(C(=O)NC(C)C)c1C
InChIInChI=1S/C21H26N4O3/c1-10(2)23-20(26)16-12(4)11(3)13(5)18(14(16)6)28-15-8-9-22-19-17(15)24-21(27)25(19)7/h8-10H,1-7H3,(H,23,26)(H,24,27)
InChIKeyHADBXMCSEYBMST-UHFFFAOYSA-N
XLogP3.43
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide?
The IUPAC name of 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide (CID 58024337) is 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide is Cc1c(C)c(Oc2ccnc3c2[nH]c(=O)n3C)c(C)c(C(=O)NC(C)C)c1C.
What is the InChIKey of 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide?
The InChIKey is HADBXMCSEYBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-10(2)23-20(26)16-12(4)11(3)13(5)18(14(16)6)28-15-8-9-22-19-17(15)24-21(27)25(19)7/h8-10H,1-7H3,(H,23,26)(H,24,27).
What are the key properties of 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide?
2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyl-5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 58024337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).