1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide

C23H22N6O3 — CID 91075314

IUPAC1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(N=O)NC(=O)c1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/C23H22N6O3/c1-15(28-32)25-22(30)18-12-19-20(21(26-18)24-13-16-8-4-2-5-9-16)27-23(31)29(19)14-17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,31)
InChIKeyDXEHUBFGXYKAGF-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.23
Rot. Bonds8

About 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide

1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 91075314) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID91075314
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(N=O)NC(=O)c1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/C23H22N6O3/c1-15(28-32)25-22(30)18-12-19-20(21(26-18)24-13-16-8-4-2-5-9-16)27-23(31)29(19)14-17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,31)
InChIKeyDXEHUBFGXYKAGF-UHFFFAOYSA-N
XLogP3.23
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

1-benzyl-4-(benzylamino)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 67453942
1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
CID 58948131
1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 67456724
6-amino-9-benzyl-2-(benzylamino)-7H-purin-8-one;N-[9-benzyl-2-(benzylamino)-8-oxo-7H-purin-6-yl]acetamide;ethane;molecular iodine
CID 90852703
1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one
CID 86614470
6-amino-2-(benzylamino)-9-[[3-(dimethylphosphorylmethyl)phenyl]methyl]-7H-purin-8-one
CID 71141156
4-amino-1-benzyl-5-hydroxy-6-methyl-3H-imidazo[4,5-c]pyridin-5-ium-2-one
CID 71169401
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide
CID 11977603
1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 67142013
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 91075314) is 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide is CC(N=O)NC(=O)c1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1.
What is the InChIKey of 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is DXEHUBFGXYKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-15(28-32)25-22(30)18-12-19-20(21(26-18)24-13-16-8-4-2-5-9-16)27-23(31)29(19)14-17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,31).
What are the key properties of 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide?
1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(benzylamino)-N-(1-nitrosoethyl)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 91075314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).