6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid

C14H21N3O2 — CID 114515932

IUPAC6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCN1CCC(CCNc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-17-9-6-11(7-10-17)5-8-15-13-4-2-3-12(16-13)14(18)19/h2-4,11H,5-10H2,1H3,(H,15,16)(H,18,19)
InChIKeyBVYTXHHHZLDHTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds5

About 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid

6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114515932) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID114515932
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCN1CCC(CCNc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-17-9-6-11(7-10-17)5-8-15-13-4-2-3-12(16-13)14(18)19/h2-4,11H,5-10H2,1H3,(H,15,16)(H,18,19)
InChIKeyBVYTXHHHZLDHTE-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Acetamidopicolinic acid
CID 824640
6-Aminopyridine-2-carboxylic acid
CID 351652
5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
US10513493, Example 20
CID 118301993
6-(Prop-2-enamido)pyridine-2-carboxylic acid
CID 63642220
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
7-Oxo-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 21873736
6-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 22726931
6-(Dimethylamino)picolinic acid
CID 53408411
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid (CID 114515932) is 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid is CN1CCC(CCNc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is BVYTXHHHZLDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-9-6-11(7-10-17)5-8-15-13-4-2-3-12(16-13)14(18)19/h2-4,11H,5-10H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid?
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114515932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).