3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C13H21N3O — CID 82522108

IUPAC3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCNCc1cc2c(n(C)c1=O)CCN(C)C2
InChIInChI=1S/C13H21N3O/c1-4-14-8-10-7-11-9-15(2)6-5-12(11)16(3)13(10)17/h7,14H,4-6,8-9H2,1-3H3
InChIKeyANNUZKMTICHJOY-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.48
Rot. Bonds3

About 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82522108) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82522108
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCNCc1cc2c(n(C)c1=O)CCN(C)C2
InChIInChI=1S/C13H21N3O/c1-4-14-8-10-7-11-9-15(2)6-5-12(11)16(3)13(10)17/h7,14H,4-6,8-9H2,1-3H3
InChIKeyANNUZKMTICHJOY-UHFFFAOYSA-N
XLogP0.48
TPSA37.27 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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82522108) is 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCNCc1cc2c(n(C)c1=O)CCN(C)C2.
What is the InChIKey of 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is ANNUZKMTICHJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-14-8-10-7-11-9-15(2)6-5-12(11)16(3)13(10)17/h7,14H,4-6,8-9H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).