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

C15H14N4O3 — CID 166887537

IUPAC4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde
SMILESC/N=c1\cc(N2CCOc3cc(C=O)cnc32)ccn1C=O
InChIInChI=1S/C15H14N4O3/c1-16-14-7-12(2-3-18(14)10-21)19-4-5-22-13-6-11(9-20)8-17-15(13)19/h2-3,6-10H,4-5H2,1H3/b16-14+
InChIKeyNOVKVBRJDSGZRH-JQIJEIRASA-N
MW298.30 g/mol
LogP0.79
Rot. Bonds3

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

4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde (PubChem CID 166887537) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde.

Molecular Properties

Compound Name4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde
PubChem CID166887537
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde
SMILESC/N=c1\cc(N2CCOc3cc(C=O)cnc32)ccn1C=O
InChIInChI=1S/C15H14N4O3/c1-16-14-7-12(2-3-18(14)10-21)19-4-5-22-13-6-11(9-20)8-17-15(13)19/h2-3,6-10H,4-5H2,1H3/b16-14+
InChIKeyNOVKVBRJDSGZRH-JQIJEIRASA-N
XLogP0.79
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde?
The IUPAC name of 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde (CID 166887537) is 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde.
What is the SMILES notation for 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde?
The canonical SMILES for 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde is C/N=c1\cc(N2CCOc3cc(C=O)cnc32)ccn1C=O.
What is the InChIKey of 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde?
The InChIKey is NOVKVBRJDSGZRH-JQIJEIRASA-N. The full InChI is InChI=1S/C15H14N4O3/c1-16-14-7-12(2-3-18(14)10-21)19-4-5-22-13-6-11(9-20)8-17-15(13)19/h2-3,6-10H,4-5H2,1H3/b16-14+.
What are the key properties of 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde?
4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde has a molecular weight of 298.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-formyl-2-methylimino-4-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde is sourced from PubChem (CID 166887537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).