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

C13H21N3O — CID 82522073

IUPAC1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCn1c2c(cc(CNC)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-4-16-12-5-6-15(3)9-11(12)7-10(8-14-2)13(16)17/h7,14H,4-6,8-9H2,1-3H3
InChIKeyVXGPSZKJQZNDCE-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.58
Rot. Bonds3

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

1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82522073) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82522073
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCn1c2c(cc(CNC)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-4-16-12-5-6-15(3)9-11(12)7-10(8-14-2)13(16)17/h7,14H,4-6,8-9H2,1-3H3
InChIKeyVXGPSZKJQZNDCE-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
6-acetyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 71801565
2-Oxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carboxamide
CID 91623838
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride
CID 126809337
2-Hydroxy-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008524
6-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47267982
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522706

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82522073) is 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCn1c2c(cc(CNC)c1=O)CN(C)CC2.
What is the InChIKey of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is VXGPSZKJQZNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-12-5-6-15(3)9-11(12)7-10(8-14-2)13(16)17/h7,14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).