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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Related Compounds

N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 20825913
tert-butyl (NZ)-N-[[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 20825963
N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390836
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57421110
N'-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)ethane-1,2-diamine
CID 83833578
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672450
2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methanidyl-7,8-dihydro-5H-1,6-naphthyridine
CID 20825717
2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine
CID 175549085
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
1-[(4S)-4-[[6-(2-methoxyethylamino)-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 95825077

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).