ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

C19H19N3O4 — CID 109079172

IUPACethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1
InChIInChI=1S/C19H19N3O4/c1-3-10-21-18(24)16-12-13(9-11-20-16)17(23)22-15-8-6-5-7-14(15)19(25)26-4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,21,24)(H,22,23)
InChIKeyWVZKGPBWVUWQRA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.43
Rot. Bonds7

About ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109079172) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109079172
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nameethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1
InChIInChI=1S/C19H19N3O4/c1-3-10-21-18(24)16-12-13(9-11-20-16)17(23)22-15-8-6-5-7-14(15)19(25)26-4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,21,24)(H,22,23)
InChIKeyWVZKGPBWVUWQRA-UHFFFAOYSA-N
XLogP2.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
ethyl 2-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089636
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
ethyl 2-[[3-oxo-3-(prop-2-enylamino)propanoyl]amino]benzoate
CID 108941345
ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109082942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (CID 109079172) is ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is C=CCNC(=O)c1cc(C(=O)Nc2ccccc2C(=O)OCC)ccn1.
What is the InChIKey of ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is WVZKGPBWVUWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-10-21-18(24)16-12-13(9-11-20-16)17(23)22-15-8-6-5-7-14(15)19(25)26-4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 353.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109079172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).