6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C12H17N3O — CID 163637312

IUPAC6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCNCCC1Cc2cc(C)cnc2NC1=O
InChIInChI=1S/C12H17N3O/c1-8-5-10-6-9(3-4-13-2)12(16)15-11(10)14-7-8/h5,7,9,13H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyIBHASSJRWPMHQK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.11
Rot. Bonds3

About 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163637312) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163637312
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCNCCC1Cc2cc(C)cnc2NC1=O
InChIInChI=1S/C12H17N3O/c1-8-5-10-6-9(3-4-13-2)12(16)15-11(10)14-7-8/h5,7,9,13H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyIBHASSJRWPMHQK-UHFFFAOYSA-N
XLogP1.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163637312) is 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CNCCC1Cc2cc(C)cnc2NC1=O.
What is the InChIKey of 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is IBHASSJRWPMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-5-10-6-9(3-4-13-2)12(16)15-11(10)14-7-8/h5,7,9,13H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(methylamino)ethyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163637312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).