6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde

C12H16N2O2 — CID 82521685

IUPAC6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
SMILESCCN1CCc2c(cc(C=O)c(=O)n2C)C1
InChIInChI=1S/C12H16N2O2/c1-3-14-5-4-11-9(7-14)6-10(8-15)12(16)13(11)2/h6,8H,3-5,7H2,1-2H3
InChIKeyFXJPZSOBGJHBRT-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.58
Rot. Bonds2

About 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde

6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde (PubChem CID 82521685) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
PubChem CID82521685
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
SMILESCCN1CCc2c(cc(C=O)c(=O)n2C)C1
InChIInChI=1S/C12H16N2O2/c1-3-14-5-4-11-9(7-14)6-10(8-15)12(16)13(11)2/h6,8H,3-5,7H2,1-2H3
InChIKeyFXJPZSOBGJHBRT-UHFFFAOYSA-N
XLogP0.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
6-ethyl-1-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521684
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167510777
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466803
3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626
(E)-3-(1,6-dimethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82522082
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
3-(1-aminoethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521573

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The IUPAC name of 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde (CID 82521685) is 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The canonical SMILES for 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde is CCN1CCc2c(cc(C=O)c(=O)n2C)C1.
What is the InChIKey of 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The InChIKey is FXJPZSOBGJHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14-5-4-11-9(7-14)6-10(8-15)12(16)13(11)2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 82521685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).