1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate

C16H16N2O2 — CID 103993279

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OC1CCCc2ccccc21
InChIInChI=1S/C16H16N2O2/c17-13-8-4-10-18-15(13)16(19)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9,17H2
InChIKeyVLZFYKRAAFFAOY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.90
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate (PubChem CID 103993279) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
PubChem CID103993279
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OC1CCCc2ccccc21
InChIInChI=1S/C16H16N2O2/c17-13-8-4-10-18-15(13)16(19)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9,17H2
InChIKeyVLZFYKRAAFFAOY-UHFFFAOYSA-N
XLogP2.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
CID 64526040
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
CID 61308512
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
1,2,3,4-tetrahydronaphthalen-1-yl 3-fluoropyridine-4-carboxylate
CID 115646681
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
CID 107339958
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743120

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate (CID 103993279) is 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate is Nc1cccnc1C(=O)OC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate?
The InChIKey is VLZFYKRAAFFAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-13-8-4-10-18-15(13)16(19)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9,17H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.90, 2 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 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 103993279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).