2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid

C14H18N2O3 — CID 122056228

IUPAC2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
SMILESCC1CCCN(C(=O)c2cc(C(=O)O)ccn2)C1C
InChIInChI=1S/C14H18N2O3/c1-9-4-3-7-16(10(9)2)13(17)12-8-11(14(18)19)5-6-15-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyJGHGQIBOWZCHTA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.04
Rot. Bonds2

About 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid

2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122056228) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
PubChem CID122056228
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
SMILESCC1CCCN(C(=O)c2cc(C(=O)O)ccn2)C1C
InChIInChI=1S/C14H18N2O3/c1-9-4-3-7-16(10(9)2)13(17)12-8-11(14(18)19)5-6-15-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyJGHGQIBOWZCHTA-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055971
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122116403
(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055471
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid (CID 122056228) is 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid is CC1CCCN(C(=O)c2cc(C(=O)O)ccn2)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is JGHGQIBOWZCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-3-7-16(10(9)2)13(17)12-8-11(14(18)19)5-6-15-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122056228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).