3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide

C26H28N4O3 — CID 53022332

IUPAC3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C26H28N4O3/c1-4-32-22-13-12-20(15-23(22)33-5-2)26(31)28-16-24-29-21-7-6-14-27-25(21)30(24)17-19-10-8-18(3)9-11-19/h6-15H,4-5,16-17H2,1-3H3,(H,28,31)
InChIKeyZQQDLQUUZBARQQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.52
Rot. Bonds9

About 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide

3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide (PubChem CID 53022332) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
PubChem CID53022332
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C26H28N4O3/c1-4-32-22-13-12-20(15-23(22)33-5-2)26(31)28-16-24-29-21-7-6-14-27-25(21)30(24)17-19-10-8-18(3)9-11-19/h6-15H,4-5,16-17H2,1-3H3,(H,28,31)
InChIKeyZQQDLQUUZBARQQ-UHFFFAOYSA-N
XLogP4.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53022329
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-nitrobenzamide
CID 53022362
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295
N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]pyridine-3-carboxamide
CID 53020605
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
CID 53084727
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 22553602

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide (CID 53022332) is 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide is CCOc1ccc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide?
The InChIKey is ZQQDLQUUZBARQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-4-32-22-13-12-20(15-23(22)33-5-2)26(31)28-16-24-29-21-7-6-14-27-25(21)30(24)17-19-10-8-18(3)9-11-19/h6-15H,4-5,16-17H2,1-3H3,(H,28,31).
What are the key properties of 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide?
3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide is sourced from PubChem (CID 53022332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).