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

C16H27N3O — CID 82521829

IUPAC3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)CCn1c2c(cc(C(C)N)c1=O)CN(C)CC2
InChIInChI=1S/C16H27N3O/c1-11(2)5-8-19-15-6-7-18(4)10-13(15)9-14(12(3)17)16(19)20/h9,11-12H,5-8,10,17H2,1-4H3
InChIKeyPNBCCWITDVYXGH-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.90
Rot. Bonds4

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

3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521829) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521829
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)CCn1c2c(cc(C(C)N)c1=O)CN(C)CC2
InChIInChI=1S/C16H27N3O/c1-11(2)5-8-19-15-6-7-18(4)10-13(15)9-14(12(3)17)16(19)20/h9,11-12H,5-8,10,17H2,1-4H3
InChIKeyPNBCCWITDVYXGH-UHFFFAOYSA-N
XLogP1.90
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522744
3-(1-aminoethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521573
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521429
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
3-acetyl-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522270
1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82521884
1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521892

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521829) is 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(C)CCn1c2c(cc(C(C)N)c1=O)CN(C)CC2.
What is the InChIKey of 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is PNBCCWITDVYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)5-8-19-15-6-7-18(4)10-13(15)9-14(12(3)17)16(19)20/h9,11-12H,5-8,10,17H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).