3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C15H18N4O2 — CID 91959527

IUPAC3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccn2)nn2c1OCCC2
InChIInChI=1S/C15H18N4O2/c1-10-13(18-19-8-5-9-21-15(10)19)14(20)17-11(2)12-6-3-4-7-16-12/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyGPMLDZVUZWXPPS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959527) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959527
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccn2)nn2c1OCCC2
InChIInChI=1S/C15H18N4O2/c1-10-13(18-19-8-5-9-21-15(10)19)14(20)17-11(2)12-6-3-4-7-16-12/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyGPMLDZVUZWXPPS-UHFFFAOYSA-N
XLogP1.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959527) is 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1c(C(=O)NC(C)c2ccccn2)nn2c1OCCC2.
What is the InChIKey of 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is GPMLDZVUZWXPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-13(18-19-8-5-9-21-15(10)19)14(20)17-11(2)12-6-3-4-7-16-12/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).