5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C12H17N3O2 — CID 53213920

IUPAC5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ncc(N)cc2C(=O)O)CC1
InChIInChI=1S/C12H17N3O2/c1-8-2-4-15(5-3-8)11-10(12(16)17)6-9(13)7-14-11/h6-8H,2-5,13H2,1H3,(H,16,17)
InChIKeyXJCRFRQVBASGNJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.60
Rot. Bonds2

About 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 53213920) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID53213920
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ncc(N)cc2C(=O)O)CC1
InChIInChI=1S/C12H17N3O2/c1-8-2-4-15(5-3-8)11-10(12(16)17)6-9(13)7-14-11/h6-8H,2-5,13H2,1H3,(H,16,17)
InChIKeyXJCRFRQVBASGNJ-UHFFFAOYSA-N
XLogP1.60
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide
CID 63622974
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415
5-amino-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 106835267
6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid
CID 117102613
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid
CID 114047324
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024598
3-(4-methylpiperidin-1-yl)-6-sulfanylidene-1H-pyridazine-4-carboxylic acid
CID 117102617
5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 82487874
5-amino-2-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxamide
CID 62370258

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 53213920) is 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is CC1CCN(c2ncc(N)cc2C(=O)O)CC1.
What is the InChIKey of 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is XJCRFRQVBASGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-2-4-15(5-3-8)11-10(12(16)17)6-9(13)7-14-11/h6-8H,2-5,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53213920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).