2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal

C12H16N2O — CID 142580280

IUPAC2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal
SMILESCC(C=O)c1ccc2c(n1)CCCN2C
InChIInChI=1S/C12H16N2O/c1-9(8-15)10-5-6-12-11(13-10)4-3-7-14(12)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPZZXRMLBYGWSDS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.77
Rot. Bonds2

About 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal

2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal (PubChem CID 142580280) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal.

Molecular Properties

Compound Name2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal
PubChem CID142580280
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal
SMILESCC(C=O)c1ccc2c(n1)CCCN2C
InChIInChI=1S/C12H16N2O/c1-9(8-15)10-5-6-12-11(13-10)4-3-7-14(12)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPZZXRMLBYGWSDS-UHFFFAOYSA-N
XLogP1.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methoxybutan-2-imine
CID 9556152
N-(4-fluorophenyl)-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanamide
CID 155093129
methyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 158787136
2-Pyridin-2-yl-3-[4-(trifluoromethyl)piperazin-1-yl]propanal
CID 175280167
6,7-diethyl-1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588694
(2S)-2-(6-fluoro-2-pyridinyl)octanal
CID 101800137
1-(4-Fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one
CID 161407586
2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide
CID 162450483
4-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methoxybutan-2-imine
CID 6636901
1,6-Dimethyl-2,4-dihydro-1,5-naphthyridin-3-one
CID 20817435
6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde
CID 20825854
5,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carbaldehyde
CID 22985629

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal?
The IUPAC name of 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal (CID 142580280) is 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal.
What is the SMILES notation for 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal?
The canonical SMILES for 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal is CC(C=O)c1ccc2c(n1)CCCN2C.
What is the InChIKey of 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal?
The InChIKey is PZZXRMLBYGWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(8-15)10-5-6-12-11(13-10)4-3-7-14(12)2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal?
2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal has a molecular weight of 204.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)propanal is sourced from PubChem (CID 142580280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).