2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one

C10H13N3O — CID 165381076

IUPAC2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(C)Cc2nc(N)ccc2C(=O)N1
InChIInChI=1S/C10H13N3O/c1-10(2)5-7-6(9(14)13-10)3-4-8(11)12-7/h3-4H,5H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyBXHCWJCFHIMSOC-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.73
Rot. Bonds

About 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one

2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 165381076) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
PubChem CID165381076
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(C)Cc2nc(N)ccc2C(=O)N1
InChIInChI=1S/C10H13N3O/c1-10(2)5-7-6(9(14)13-10)3-4-8(11)12-7/h3-4H,5H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyBXHCWJCFHIMSOC-UHFFFAOYSA-N
XLogP0.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one (CID 165381076) is 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one is CC1(C)Cc2nc(N)ccc2C(=O)N1.
What is the InChIKey of 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is BXHCWJCFHIMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2)5-7-6(9(14)13-10)3-4-8(11)12-7/h3-4H,5H2,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 165381076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).