2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H22N6O3 — CID 154994166

IUPAC2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1NC2C=C(N3CCOc4cc(C(=O)N5CCCC5)cnc43)C=CN2C1=O
InChIInChI=1S/C19H22N6O3/c1-22-19(27)25-7-4-14(11-16(25)21-22)24-8-9-28-15-10-13(12-20-17(15)24)18(26)23-5-2-3-6-23/h4,7,10-12,16,21H,2-3,5-6,8-9H2,1H3
InChIKeyZMBAZASICAYWSN-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.13
Rot. Bonds2

About 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 154994166) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID154994166
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1NC2C=C(N3CCOc4cc(C(=O)N5CCCC5)cnc43)C=CN2C1=O
InChIInChI=1S/C19H22N6O3/c1-22-19(27)25-7-4-14(11-16(25)21-22)24-8-9-28-15-10-13(12-20-17(15)24)18(26)23-5-2-3-6-23/h4,7,10-12,16,21H,2-3,5-6,8-9H2,1H3
InChIKeyZMBAZASICAYWSN-UHFFFAOYSA-N
XLogP1.13
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 154994166) is 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN1NC2C=C(N3CCOc4cc(C(=O)N5CCCC5)cnc43)C=CN2C1=O.
What is the InChIKey of 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZMBAZASICAYWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-22-19(27)25-7-4-14(11-16(25)21-22)24-8-9-28-15-10-13(12-20-17(15)24)18(26)23-5-2-3-6-23/h4,7,10-12,16,21H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 382.42 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 154994166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).