N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

C20H19N3O4 — CID 70236571

IUPACN-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1OC
InChIInChI=1S/C20H19N3O4/c1-26-15-9-6-12(11-16(15)27-2)21-20(25)18-14(24)8-7-13-19(18)22-17-5-3-4-10-23(13)17/h3-6,9-11,24H,7-8H2,1-2H3,(H,21,25)
InChIKeyGDGQMAHIYLPGOY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.21
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (PubChem CID 70236571) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
PubChem CID70236571
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1OC
InChIInChI=1S/C20H19N3O4/c1-26-15-9-6-12(11-16(15)27-2)21-20(25)18-14(24)8-7-13-19(18)22-17-5-3-4-10-23(13)17/h3-6,9-11,24H,7-8H2,1-2H3,(H,21,25)
InChIKeyGDGQMAHIYLPGOY-UHFFFAOYSA-N
XLogP3.21
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126470919
N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70240540
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70084408
N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70158154
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
1-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111031665
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236
N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (CID 70236571) is N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is COc1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The InChIKey is GDGQMAHIYLPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-15-9-6-12(11-16(15)27-2)21-20(25)18-14(24)8-7-13-19(18)22-17-5-3-4-10-23(13)17/h3-6,9-11,24H,7-8H2,1-2H3,(H,21,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is sourced from PubChem (CID 70236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).