6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C12H18N3O- — CID 20825839

IUPAC6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILES[CH2-]N1CCc2nc(NCCOC)ccc2C1
InChIInChI=1S/C12H18N3O/c1-15-7-5-11-10(9-15)3-4-12(14-11)13-6-8-16-2/h3-4H,1,5-9H2,2H3,(H,13,14)/q-1
InChIKeyZVSOERROJCGMEV-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.29
Rot. Bonds4

About 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine

6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 20825839) has the molecular formula C12H18N3O- and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID20825839
Molecular FormulaC12H18N3O-
Molecular Weight220.30 g/mol
Exact Mass220.15
IUPAC Name6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILES[CH2-]N1CCc2nc(NCCOC)ccc2C1
InChIInChI=1S/C12H18N3O/c1-15-7-5-11-10(9-15)3-4-12(14-11)13-6-8-16-2/h3-4H,1,5-9H2,2H3,(H,13,14)/q-1
InChIKeyZVSOERROJCGMEV-UHFFFAOYSA-N
XLogP1.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 20825839) is 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine is [CH2-]N1CCc2nc(NCCOC)ccc2C1.
What is the InChIKey of 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is ZVSOERROJCGMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N3O/c1-15-7-5-11-10(9-15)3-4-12(14-11)13-6-8-16-2/h3-4H,1,5-9H2,2H3,(H,13,14)/q-1.
What are the key properties of 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 220.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 20825839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).