7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde

C14H13N3O3 — CID 142706125

IUPAC7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde
SMILESCOc1cncc(-c2cnc3c(c2)N(C=O)CCO3)c1
InChIInChI=1S/C14H13N3O3/c1-19-12-4-10(6-15-8-12)11-5-13-14(16-7-11)20-3-2-17(13)9-18/h4-9H,2-3H2,1H3
InChIKeyIUHBDAIURNFZLT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.51
Rot. Bonds3

About 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde

7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde (PubChem CID 142706125) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde.

Molecular Properties

Compound Name7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde
PubChem CID142706125
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde
SMILESCOc1cncc(-c2cnc3c(c2)N(C=O)CCO3)c1
InChIInChI=1S/C14H13N3O3/c1-19-12-4-10(6-15-8-12)11-5-13-14(16-7-11)20-3-2-17(13)9-18/h4-9H,2-3H2,1H3
InChIKeyIUHBDAIURNFZLT-UHFFFAOYSA-N
XLogP1.51
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde?
The IUPAC name of 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde (CID 142706125) is 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde.
What is the SMILES notation for 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde?
The canonical SMILES for 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde is COc1cncc(-c2cnc3c(c2)N(C=O)CCO3)c1.
What is the InChIKey of 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde?
The InChIKey is IUHBDAIURNFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-12-4-10(6-15-8-12)11-5-13-14(16-7-11)20-3-2-17(13)9-18/h4-9H,2-3H2,1H3.
What are the key properties of 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde?
7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde has a molecular weight of 271.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde is sourced from PubChem (CID 142706125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).