3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C17H27N3O — CID 82521429

IUPAC3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(C(C)N)c(=O)n2C2CCCC2)C1
InChIInChI=1S/C17H27N3O/c1-3-19-9-8-16-13(11-19)10-15(12(2)18)17(21)20(16)14-6-4-5-7-14/h10,12,14H,3-9,11,18H2,1-2H3
InChIKeyUJCZPYLSECZMGU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.36
Rot. Bonds3

About 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521429) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521429
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(C(C)N)c(=O)n2C2CCCC2)C1
InChIInChI=1S/C17H27N3O/c1-3-19-9-8-16-13(11-19)10-15(12(2)18)17(21)20(16)14-6-4-5-7-14/h10,12,14H,3-9,11,18H2,1-2H3
InChIKeyUJCZPYLSECZMGU-UHFFFAOYSA-N
XLogP2.36
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466804
3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
3-(1-aminoethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521573
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189243
1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189237
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
CID 82521558
1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521486
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521975
3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521582

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521429) is 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCN1CCc2c(cc(C(C)N)c(=O)n2C2CCCC2)C1.
What is the InChIKey of 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is UJCZPYLSECZMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-9-8-16-13(11-19)10-15(12(2)18)17(21)20(16)14-6-4-5-7-14/h10,12,14H,3-9,11,18H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 289.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).