3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C18H29N3O — CID 82189243

IUPAC3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCN1CCc2c(cc(CN)c(=O)n2C2CCCCC2)C1
InChIInChI=1S/C18H29N3O/c1-2-9-20-10-8-17-15(13-20)11-14(12-19)18(22)21(17)16-6-4-3-5-7-16/h11,16H,2-10,12-13,19H2,1H3
InChIKeyGDQWVAUENMLBMP-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.58
Rot. Bonds4

About 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82189243) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82189243
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCN1CCc2c(cc(CN)c(=O)n2C2CCCCC2)C1
InChIInChI=1S/C18H29N3O/c1-2-9-20-10-8-17-15(13-20)11-14(12-19)18(22)21(17)16-6-4-3-5-7-16/h11,16H,2-10,12-13,19H2,1H3
InChIKeyGDQWVAUENMLBMP-UHFFFAOYSA-N
XLogP2.58
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189237
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
3-amino-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466804
3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521429
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521975
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
CID 82521558
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521728
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82189243) is 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCN1CCc2c(cc(CN)c(=O)n2C2CCCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is GDQWVAUENMLBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-9-20-10-8-17-15(13-20)11-14(12-19)18(22)21(17)16-6-4-3-5-7-16/h11,16H,2-10,12-13,19H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 303.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82189243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).