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

C14H23N3O — CID 82522143

IUPAC3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCCCCNCc1cc2c([nH]c1=O)CCN(C)C2
InChIInChI=1S/C14H23N3O/c1-3-4-6-15-9-11-8-12-10-17(2)7-5-13(12)16-14(11)18/h8,15H,3-7,9-10H2,1-2H3,(H,16,18)
InChIKeyPUYUWQXJHBLJTI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.25
Rot. Bonds5

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

3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 82522143) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID82522143
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCCCCNCc1cc2c([nH]c1=O)CCN(C)C2
InChIInChI=1S/C14H23N3O/c1-3-4-6-15-9-11-8-12-10-17(2)7-5-13(12)16-14(11)18/h8,15H,3-7,9-10H2,1-2H3,(H,16,18)
InChIKeyPUYUWQXJHBLJTI-UHFFFAOYSA-N
XLogP1.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(butylaminomethyl)-6-methyl-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

6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522145
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
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one
CID 82523992
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
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
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675

Frequently Asked Questions

What is the IUPAC name of 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 82522143) is 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CCCCNCc1cc2c([nH]c1=O)CCN(C)C2.
What is the InChIKey of 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is PUYUWQXJHBLJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-6-15-9-11-8-12-10-17(2)7-5-13(12)16-14(11)18/h8,15H,3-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).