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

C14H23N3O — CID 82466799

IUPAC3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCn1c2c(cc(N)c1=O)CN(CC)CC2
InChIInChI=1S/C14H23N3O/c1-3-5-7-17-13-6-8-16(4-2)10-11(13)9-12(15)14(17)18/h9H,3-8,10,15H2,1-2H3
InChIKeyGDNMUDTWDOEEIN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.61
Rot. Bonds4

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

3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82466799) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82466799
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCn1c2c(cc(N)c1=O)CN(CC)CC2
InChIInChI=1S/C14H23N3O/c1-3-5-7-17-13-6-8-16(4-2)10-11(13)9-12(15)14(17)18/h9H,3-8,10,15H2,1-2H3
InChIKeyGDNMUDTWDOEEIN-UHFFFAOYSA-N
XLogP1.61
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.61
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-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82466799) is 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCCn1c2c(cc(N)c1=O)CN(CC)CC2.
What is the InChIKey of 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is GDNMUDTWDOEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-7-17-13-6-8-16(4-2)10-11(13)9-12(15)14(17)18/h9H,3-8,10,15H2,1-2H3.
What are the key properties of 3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-amino-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.61, 4 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-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82466799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).