3-(1-adamantylmethylamino)pyridine-4-carboxylic acid

C17H22N2O2 — CID 77106319

IUPAC3-(1-adamantylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)
InChIKeyTUXVCHDESZTZON-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.41
Rot. Bonds4

About 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid

3-(1-adamantylmethylamino)pyridine-4-carboxylic acid (PubChem CID 77106319) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-adamantylmethylamino)pyridine-4-carboxylic acid
PubChem CID77106319
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-(1-adamantylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)
InChIKeyTUXVCHDESZTZON-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid (CID 77106319) is 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is TUXVCHDESZTZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21).
What are the key properties of 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid?
3-(1-adamantylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 77106319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).