2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide

C21H26N4O2 — CID 110219032

IUPAC2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
SMILESCOc1ccc(CC(=O)NC(CC(C)C)c2nc3cccnc3n2C)cc1
InChIInChI=1S/C21H26N4O2/c1-14(2)12-18(21-24-17-6-5-11-22-20(17)25(21)3)23-19(26)13-15-7-9-16(27-4)10-8-15/h5-11,14,18H,12-13H2,1-4H3,(H,23,26)
InChIKeyULVBFICURVFZRW-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.42
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide

2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide (PubChem CID 110219032) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
PubChem CID110219032
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
SMILESCOc1ccc(CC(=O)NC(CC(C)C)c2nc3cccnc3n2C)cc1
InChIInChI=1S/C21H26N4O2/c1-14(2)12-18(21-24-17-6-5-11-22-20(17)25(21)3)23-19(26)13-15-7-9-16(27-4)10-8-15/h5-11,14,18H,12-13H2,1-4H3,(H,23,26)
InChIKeyULVBFICURVFZRW-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]benzamide
CID 16667882
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CID 16668541
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]acetamide
CID 110225703
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
4-(4-methoxyphenyl)-N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]oxane-4-carboxamide
CID 91637801
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]cyclopropanecarboxamide
CID 16674902
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1R)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]acetamide
CID 124848157
N-[(1R)-1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]-4-methoxycyclohexane-1-carboxamide
CID 98066361
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
4-(4-methoxyphenyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 134800374

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide (CID 110219032) is 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide is COc1ccc(CC(=O)NC(CC(C)C)c2nc3cccnc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
The InChIKey is ULVBFICURVFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)12-18(21-24-17-6-5-11-22-20(17)25(21)3)23-19(26)13-15-7-9-16(27-4)10-8-15/h5-11,14,18H,12-13H2,1-4H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide is sourced from PubChem (CID 110219032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).