6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C13H21N3O — CID 82522145

IUPAC6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCCCNCc1cc2c([nH]c1=O)CCN(C)C2
InChIInChI=1S/C13H21N3O/c1-3-5-14-8-10-7-11-9-16(2)6-4-12(11)15-13(10)17/h7,14H,3-6,8-9H2,1-2H3,(H,15,17)
InChIKeyMRELBLTZAFFLBW-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.86
Rot. Bonds4

About 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 82522145) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID82522145
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCCCNCc1cc2c([nH]c1=O)CCN(C)C2
InChIInChI=1S/C13H21N3O/c1-3-5-14-8-10-7-11-9-16(2)6-4-12(11)15-13(10)17/h7,14H,3-6,8-9H2,1-2H3,(H,15,17)
InChIKeyMRELBLTZAFFLBW-UHFFFAOYSA-N
XLogP0.86
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522143
3-[[(6-methoxyimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 167754259
3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 167959157
2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide
CID 166281162
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid
CID 82401146
1-(1-cyclopropylethyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166328617
1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523355
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 82410032
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 82522145) is 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CCCNCc1cc2c([nH]c1=O)CCN(C)C2.
What is the InChIKey of 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is MRELBLTZAFFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-14-8-10-7-11-9-16(2)6-4-12(11)15-13(10)17/h7,14H,3-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).