1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone

C13H19N3O — CID 105493357

IUPAC1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1N)CN(C(C)C)CC2
InChIInChI=1S/C13H19N3O/c1-8(2)16-5-4-10-6-11(9(3)17)13(14)15-12(10)7-16/h6,8H,4-5,7H2,1-3H3,(H2,14,15)
InChIKeyOBFOYCFCQFJHOY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.63
Rot. Bonds2

About 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone

1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone (PubChem CID 105493357) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone
PubChem CID105493357
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1N)CN(C(C)C)CC2
InChIInChI=1S/C13H19N3O/c1-8(2)16-5-4-10-6-11(9(3)17)13(14)15-12(10)7-16/h6,8H,4-5,7H2,1-3H3,(H2,14,15)
InChIKeyOBFOYCFCQFJHOY-UHFFFAOYSA-N
XLogP1.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone?
The IUPAC name of 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone (CID 105493357) is 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone is CC(=O)c1cc2c(nc1N)CN(C(C)C)CC2.
What is the InChIKey of 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone?
The InChIKey is OBFOYCFCQFJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)16-5-4-10-6-11(9(3)17)13(14)15-12(10)7-16/h6,8H,4-5,7H2,1-3H3,(H2,14,15).
What are the key properties of 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone?
1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone is sourced from PubChem (CID 105493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).