1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate

C17H18N2O2 — CID 107339958

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
SMILESNc1ccc(CC(=O)OC2CCCc3ccccc32)nc1
InChIInChI=1S/C17H18N2O2/c18-13-8-9-14(19-11-13)10-17(20)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,11,16H,3,5,7,10,18H2
InChIKeyPBVXEKKOQVKNLI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds3

About 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate

1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate (PubChem CID 107339958) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
PubChem CID107339958
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
SMILESNc1ccc(CC(=O)OC2CCCc3ccccc32)nc1
InChIInChI=1S/C17H18N2O2/c18-13-8-9-14(19-11-13)10-17(20)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,11,16H,3,5,7,10,18H2
InChIKeyPBVXEKKOQVKNLI-UHFFFAOYSA-N
XLogP2.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
CID 107340006
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
CID 64526040
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate (CID 107339958) is 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate is Nc1ccc(CC(=O)OC2CCCc3ccccc32)nc1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate?
The InChIKey is PBVXEKKOQVKNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-13-8-9-14(19-11-13)10-17(20)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,11,16H,3,5,7,10,18H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate?
1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate has a molecular weight of 282.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate is sourced from PubChem (CID 107339958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).