5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde

C11H14N2O — CID 22985629

IUPAC5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde
SMILESCC1CCN(C)c2ccc(C=O)nc21
InChIInChI=1S/C11H14N2O/c1-8-5-6-13(2)10-4-3-9(7-14)12-11(8)10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBFDQYIQOERXXIG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.84
Rot. Bonds1

About 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde

5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde (PubChem CID 22985629) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde
PubChem CID22985629
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde
SMILESCC1CCN(C)c2ccc(C=O)nc21
InChIInChI=1S/C11H14N2O/c1-8-5-6-13(2)10-4-3-9(7-14)12-11(8)10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBFDQYIQOERXXIG-UHFFFAOYSA-N
XLogP1.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde?
The IUPAC name of 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde (CID 22985629) is 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde.
What is the SMILES notation for 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde?
The canonical SMILES for 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde is CC1CCN(C)c2ccc(C=O)nc21.
What is the InChIKey of 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde?
The InChIKey is BFDQYIQOERXXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-5-6-13(2)10-4-3-9(7-14)12-11(8)10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde?
5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 22985629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).