3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid

C14H18N2O4 — CID 76909118

IUPAC3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCCN(CCOC)C(=O)c1cncc(C=CC(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-3-16(6-7-20-2)14(19)12-8-11(9-15-10-12)4-5-13(17)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyNCTDPHFEMFPWFM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.29
Rot. Bonds7

About 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid

3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid (PubChem CID 76909118) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
PubChem CID76909118
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCCN(CCOC)C(=O)c1cncc(C=CC(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-3-16(6-7-20-2)14(19)12-8-11(9-15-10-12)4-5-13(17)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyNCTDPHFEMFPWFM-UHFFFAOYSA-N
XLogP1.29
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 77004571
3-[5-[butan-2-yl(ethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76909049
(E)-3-[6-[ethyl(2-methoxyethyl)amino]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633399
(E)-3-[5-[butan-2-yl(methyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 109375729
3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460847
(E)-3-[5-(2-propan-2-yloxyethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 104765260
(E)-3-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 109375254
3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974847
3-[4-[bis(2-methoxyethyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79690979
(E)-3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 109375737
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707
(E)-3-[2-[2-methoxyethyl(prop-2-enyl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 103339644

Frequently Asked Questions

What is the IUPAC name of 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid (CID 76909118) is 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid is CCN(CCOC)C(=O)c1cncc(C=CC(=O)O)c1.
What is the InChIKey of 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is NCTDPHFEMFPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-16(6-7-20-2)14(19)12-8-11(9-15-10-12)4-5-13(17)18/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[ethyl(2-methoxyethyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76909118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).