6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C15H21N3O3 — CID 114516523

IUPAC6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCN1CCC(CCNC(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H21N3O3/c1-18-8-5-11(6-9-18)4-7-16-14(19)13-3-2-12(10-17-13)15(20)21/h2-3,10-11H,4-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyGBPLKPTXXYIGBO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds5

About 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 114516523) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID114516523
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCN1CCC(CCNC(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H21N3O3/c1-18-8-5-11(6-9-18)4-7-16-14(19)13-3-2-12(10-17-13)15(20)21/h2-3,10-11H,4-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyGBPLKPTXXYIGBO-UHFFFAOYSA-N
XLogP1.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydrazinyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 114516677
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 80688805
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 114516523) is 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is CN1CCC(CCNC(=O)c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is GBPLKPTXXYIGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18-8-5-11(6-9-18)4-7-16-14(19)13-3-2-12(10-17-13)15(20)21/h2-3,10-11H,4-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.24, 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)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114516523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).