1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone

C12H17N3O — CID 123774733

IUPAC1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone
SMILESCC(=O)N1c2cnccc2C(N)C(C)C1C
InChIInChI=1S/C12H17N3O/c1-7-8(2)15(9(3)16)11-6-14-5-4-10(11)12(7)13/h4-8,12H,13H2,1-3H3
InChIKeyALGCIQVWIIUSTM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.47
Rot. Bonds

About 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone

1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone (PubChem CID 123774733) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone
PubChem CID123774733
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone
SMILESCC(=O)N1c2cnccc2C(N)C(C)C1C
InChIInChI=1S/C12H17N3O/c1-7-8(2)15(9(3)16)11-6-14-5-4-10(11)12(7)13/h4-8,12H,13H2,1-3H3
InChIKeyALGCIQVWIIUSTM-UHFFFAOYSA-N
XLogP1.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone?
The IUPAC name of 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone (CID 123774733) is 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone is CC(=O)N1c2cnccc2C(N)C(C)C1C.
What is the InChIKey of 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone?
The InChIKey is ALGCIQVWIIUSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-8(2)15(9(3)16)11-6-14-5-4-10(11)12(7)13/h4-8,12H,13H2,1-3H3.
What are the key properties of 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone?
1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone is sourced from PubChem (CID 123774733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).