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

C13H21N3O — CID 82189156

IUPAC3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCn1c2c(cc(CN)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-3-5-16-12-4-6-15(2)9-11(12)7-10(8-14)13(16)17/h7H,3-6,8-9,14H2,1-2H3
InChIKeyXCOIBVLTIOEWFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.70
Rot. Bonds3

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

3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82189156) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82189156
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCn1c2c(cc(CN)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-3-5-16-12-4-6-15(2)9-11(12)7-10(8-14)13(16)17/h7H,3-6,8-9,14H2,1-2H3
InChIKeyXCOIBVLTIOEWFF-UHFFFAOYSA-N
XLogP0.70
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521728
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189174
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189237
3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189243
3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 82189202
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82189156) is 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCn1c2c(cc(CN)c1=O)CN(C)CC2.
What is the InChIKey of 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is XCOIBVLTIOEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-16-12-4-6-15(2)9-11(12)7-10(8-14)13(16)17/h7H,3-6,8-9,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82189156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).