ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate

C19H20N2O3 — CID 54406415

IUPACethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(CC(NC=O)c2cccnc2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)10-9-15-5-7-16(8-6-15)12-18(21-14-22)17-4-3-11-20-13-17/h3-11,13-14,18H,2,12H2,1H3,(H,21,22)
InChIKeyVQZYJWDHNILMEM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds8

About ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate

ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate (PubChem CID 54406415) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate
PubChem CID54406415
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(CC(NC=O)c2cccnc2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)10-9-15-5-7-16(8-6-15)12-18(21-14-22)17-4-3-11-20-13-17/h3-11,13-14,18H,2,12H2,1H3,(H,21,22)
InChIKeyVQZYJWDHNILMEM-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 86741940
ethyl (E)-3-[4-(2,2-dihydroxyethyl)phenyl]prop-2-enoate
CID 20644926
ethyl 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]-3-methylphenyl]prop-2-enoate
CID 67873137
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
ethyl 3-[3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5-pyridin-3-yloxyphenyl]prop-2-enoate
CID 70342150
ethyl 3-[4-(diethoxyphosphanylmethyl)phenyl]prop-2-enoate
CID 57023493
propyl 3-pyridin-3-ylprop-2-enoate
CID 3752856
ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
CID 102078444
ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate (CID 54406415) is ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(CC(NC=O)c2cccnc2)cc1.
What is the InChIKey of ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate?
The InChIKey is VQZYJWDHNILMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-19(23)10-9-15-5-7-16(8-6-15)12-18(21-14-22)17-4-3-11-20-13-17/h3-11,13-14,18H,2,12H2,1H3,(H,21,22).
What are the key properties of ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate?
ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 54406415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).