3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C13H21N3O — CID 82466783

IUPAC3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCn1c2c(cc(N)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-3-4-6-16-12-5-7-15(2)9-10(12)8-11(14)13(16)17/h8H,3-7,9,14H2,1-2H3
InChIKeyXMEFGPPMPXVBLW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.22
Rot. Bonds3

About 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82466783) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82466783
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCn1c2c(cc(N)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-3-4-6-16-12-5-7-15(2)9-10(12)8-11(14)13(16)17/h8H,3-7,9,14H2,1-2H3
InChIKeyXMEFGPPMPXVBLW-UHFFFAOYSA-N
XLogP1.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one
CID 137450144
3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 18943505
3-Amino-1-ethyl-4,5,6-trimethylpyridin-2-one
CID 22093028
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
3-Amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 22266485
2-[2,3-dimethyl-5-(methylamino)-6-oxo-1-pyridinyl]-N-methylacetamide
CID 23403529
1-Ethyl-3-isocyano-5,6-dimethylpyridin-2-one
CID 23587855
3-Amino-1,5,6-trimethylpyridin-2-one
CID 23587878
N-[(1,4-dimethyl-6-oxo-2-pyridinyl)methyl]-2-methylprop-2-enamide
CID 53734718
7-Ethyl-6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 53910867
3-Amino-1,4,6-trimethylpyridin-2-one
CID 54015393

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82466783) is 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCCn1c2c(cc(N)c1=O)CN(C)CC2.
What is the InChIKey of 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is XMEFGPPMPXVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-6-16-12-5-7-15(2)9-10(12)8-11(14)13(16)17/h8H,3-7,9,14H2,1-2H3.
What are the key properties of 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82466783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).