8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C19H22N2O2 — CID 167909496

IUPAC8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCc1ccc(CNCC2CCCc3ccc(C(=O)O)cc32)nc1
InChIInChI=1S/C19H22N2O2/c1-13-5-8-17(21-10-13)12-20-11-16-4-2-3-14-6-7-15(19(22)23)9-18(14)16/h5-10,16,20H,2-4,11-12H2,1H3,(H,22,23)
InChIKeyVCMJLCDEBDOLIW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds5

About 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 167909496) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID167909496
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCc1ccc(CNCC2CCCc3ccc(C(=O)O)cc32)nc1
InChIInChI=1S/C19H22N2O2/c1-13-5-8-17(21-10-13)12-20-11-16-4-2-3-14-6-7-15(19(22)23)9-18(14)16/h5-10,16,20H,2-4,11-12H2,1H3,(H,22,23)
InChIKeyVCMJLCDEBDOLIW-UHFFFAOYSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 167909496) is 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is Cc1ccc(CNCC2CCCc3ccc(C(=O)O)cc32)nc1.
What is the InChIKey of 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is VCMJLCDEBDOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-5-8-17(21-10-13)12-20-11-16-4-2-3-14-6-7-15(19(22)23)9-18(14)16/h5-10,16,20H,2-4,11-12H2,1H3,(H,22,23).
What are the key properties of 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 167909496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).