2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide

C20H17N7O2 — CID 58279406

IUPAC2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCN1CCOc2cc(-c3nc4c(C(=O)Nc5cccnn5)cccc4[nH]3)cnc21
InChIInChI=1S/C20H17N7O2/c1-27-8-9-29-15-10-12(11-21-19(15)27)18-23-14-5-2-4-13(17(14)25-18)20(28)24-16-6-3-7-22-26-16/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H,24,26,28)
InChIKeyXTJSFGSWNAZUJK-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide

2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279406) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID58279406
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCN1CCOc2cc(-c3nc4c(C(=O)Nc5cccnn5)cccc4[nH]3)cnc21
InChIInChI=1S/C20H17N7O2/c1-27-8-9-29-15-10-12(11-21-19(15)27)18-23-14-5-2-4-13(17(14)25-18)20(28)24-16-6-3-7-22-26-16/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H,24,26,28)
InChIKeyXTJSFGSWNAZUJK-UHFFFAOYSA-N
XLogP2.50
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide (CID 58279406) is 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide is CN1CCOc2cc(-c3nc4c(C(=O)Nc5cccnn5)cccc4[nH]3)cnc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is XTJSFGSWNAZUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-27-8-9-29-15-10-12(11-21-19(15)27)18-23-14-5-2-4-13(17(14)25-18)20(28)24-16-6-3-7-22-26-16/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H,24,26,28).
What are the key properties of 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).