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

C15H25N3O — CID 82466803

IUPAC3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCCn1c2c(cc(N)c1=O)CN(CC)CC2
InChIInChI=1S/C15H25N3O/c1-3-5-6-8-18-14-7-9-17(4-2)11-12(14)10-13(16)15(18)19/h10H,3-9,11,16H2,1-2H3
InChIKeyQWAGHLONQAYQEG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.00
Rot. Bonds5

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

3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82466803) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82466803
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCCn1c2c(cc(N)c1=O)CN(CC)CC2
InChIInChI=1S/C15H25N3O/c1-3-5-6-8-18-14-7-9-17(4-2)11-12(14)10-13(16)15(18)19/h10H,3-9,11,16H2,1-2H3
InChIKeyQWAGHLONQAYQEG-UHFFFAOYSA-N
XLogP2.00
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521529
3-amino-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466804
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521685
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
3-(1-aminoethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521573
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82466803) is 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCCCn1c2c(cc(N)c1=O)CN(CC)CC2.
What is the InChIKey of 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is QWAGHLONQAYQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-6-8-18-14-7-9-17(4-2)11-12(14)10-13(16)15(18)19/h10H,3-9,11,16H2,1-2H3.
What are the key properties of 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82466803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).