1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid

C14H19N3O3 — CID 114427498

IUPAC1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2ncccc2C(N)=O)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-2-9-5-7-17(11(8-9)14(19)20)13-10(12(15)18)4-3-6-16-13/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyATLDJWMCOPFECG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds4

About 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid

1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427498) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427498
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2ncccc2C(N)=O)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-2-9-5-7-17(11(8-9)14(19)20)13-10(12(15)18)4-3-6-16-13/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyATLDJWMCOPFECG-UHFFFAOYSA-N
XLogP1.26
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
CID 114427626
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 102786999
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
2-(4-ethyl-2-methylpiperidin-1-yl)benzamide
CID 156693605
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
CID 114427524
8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56884605
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
CID 103353540

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid (CID 114427498) is 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(c2ncccc2C(N)=O)C(C(=O)O)C1.
What is the InChIKey of 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is ATLDJWMCOPFECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-9-5-7-17(11(8-9)14(19)20)13-10(12(15)18)4-3-6-16-13/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid?
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).