3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C12H19N3O — CID 105477997

IUPAC3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCC(C)(C)N1CCc2[nH]c(=O)c(N)cc2C1
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-5-4-10-8(7-15)6-9(13)11(16)14-10/h6H,4-5,7,13H2,1-3H3,(H,14,16)
InChIKeyAQVLZYOLAYSMKZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.11
Rot. Bonds

About 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 105477997) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID105477997
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCC(C)(C)N1CCc2[nH]c(=O)c(N)cc2C1
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-5-4-10-8(7-15)6-9(13)11(16)14-10/h6H,4-5,7,13H2,1-3H3,(H,14,16)
InChIKeyAQVLZYOLAYSMKZ-UHFFFAOYSA-N
XLogP1.11
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 105477997) is 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CC(C)(C)N1CCc2[nH]c(=O)c(N)cc2C1.
What is the InChIKey of 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is AQVLZYOLAYSMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)15-5-4-10-8(7-15)6-9(13)11(16)14-10/h6H,4-5,7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 105477997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).