N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

C12H13N3O2 — CID 167779163

IUPACN-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
SMILESC#CCN(C)C(=O)N1CCOc2ccncc21
InChIInChI=1S/C12H13N3O2/c1-3-6-14(2)12(16)15-7-8-17-11-4-5-13-9-10(11)15/h1,4-5,9H,6-8H2,2H3
InChIKeyNBVLYFRDCLENJX-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.97
Rot. Bonds1

About N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (PubChem CID 167779163) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
PubChem CID167779163
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
SMILESC#CCN(C)C(=O)N1CCOc2ccncc21
InChIInChI=1S/C12H13N3O2/c1-3-6-14(2)12(16)15-7-8-17-11-4-5-13-9-10(11)15/h1,4-5,9H,6-8H2,2H3
InChIKeyNBVLYFRDCLENJX-UHFFFAOYSA-N
XLogP0.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (CID 167779163) is N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is C#CCN(C)C(=O)N1CCOc2ccncc21.
What is the InChIKey of N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The InChIKey is NBVLYFRDCLENJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-6-14(2)12(16)15-7-8-17-11-4-5-13-9-10(11)15/h1,4-5,9H,6-8H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 167779163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).