(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

C15H19N5O2 — CID 164641046

IUPAC(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SMILESCc1nnc2n1[C@](C)(C(=O)NCCc1cccnc1)COC2
InChIInChI=1S/C15H19N5O2/c1-11-18-19-13-9-22-10-15(2,20(11)13)14(21)17-7-5-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,21)/t15-/m0/s1
InChIKeyUOBVKXUAQVSKJR-HNNXBMFYSA-N
MW301.35 g/mol
LogP0.59
Rot. Bonds4

About (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide (PubChem CID 164641046) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
PubChem CID164641046
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SMILESCc1nnc2n1[C@](C)(C(=O)NCCc1cccnc1)COC2
InChIInChI=1S/C15H19N5O2/c1-11-18-19-13-9-22-10-15(2,20(11)13)14(21)17-7-5-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,21)/t15-/m0/s1
InChIKeyUOBVKXUAQVSKJR-HNNXBMFYSA-N
XLogP0.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide with MolForge

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Related Compounds

3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
CID 115184826
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 114828502
2,2-dimethyl-3-(2-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835010
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
CID 102611828

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
The IUPAC name of (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide (CID 164641046) is (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide.
What is the SMILES notation for (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
The canonical SMILES for (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide is Cc1nnc2n1[C@](C)(C(=O)NCCc1cccnc1)COC2.
What is the InChIKey of (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
The InChIKey is UOBVKXUAQVSKJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-18-19-13-9-22-10-15(2,20(11)13)14(21)17-7-5-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,21)/t15-/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
(5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide is sourced from PubChem (CID 164641046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).