3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid

C16H20N2O3 — CID 76978678

IUPAC3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCCN(C(=O)c1ccc(C=CC(=O)O)cn1)C1CCCC1
InChIInChI=1S/C16H20N2O3/c1-2-18(13-5-3-4-6-13)16(21)14-9-7-12(11-17-14)8-10-15(19)20/h7-11,13H,2-6H2,1H3,(H,19,20)
InChIKeyUWKZNGLKXOHISI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.58
Rot. Bonds5

About 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid

3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid (PubChem CID 76978678) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
PubChem CID76978678
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCCN(C(=O)c1ccc(C=CC(=O)O)cn1)C1CCCC1
InChIInChI=1S/C16H20N2O3/c1-2-18(13-5-3-4-6-13)16(21)14-9-7-12(11-17-14)8-10-15(19)20/h7-11,13H,2-6H2,1H3,(H,19,20)
InChIKeyUWKZNGLKXOHISI-UHFFFAOYSA-N
XLogP2.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684743
3-(6-acetyl-3-pyridinyl)prop-2-enoic acid
CID 169460546
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
3-[6-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978681
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 62953663
(E)-3-(6-carbamoyl-3-pyridinyl)prop-2-enoic acid
CID 62958855
(E)-3-[6-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 115987037
(E)-3-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633919
3-[6-[butyl(2-hydroxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76978876
N-ethyl-N-piperidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909185
3-[6-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76988422

Frequently Asked Questions

What is the IUPAC name of 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid (CID 76978678) is 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid is CCN(C(=O)c1ccc(C=CC(=O)O)cn1)C1CCCC1.
What is the InChIKey of 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is UWKZNGLKXOHISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-18(13-5-3-4-6-13)16(21)14-9-7-12(11-17-14)8-10-15(19)20/h7-11,13H,2-6H2,1H3,(H,19,20).
What are the key properties of 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[cyclopentyl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76978678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).