(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide

C16H15ClN2O2 — CID 47048971

IUPAC(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
SMILESCCn1cc(NC(=O)/C=C/c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C16H15ClN2O2/c1-2-19-11-14(7-9-16(19)21)18-15(20)8-6-12-4-3-5-13(17)10-12/h3-11H,2H2,1H3,(H,18,20)/b8-6+
InChIKeySSUXVHVOMFIXMO-SOFGYWHQSA-N
MW302.76 g/mol
LogP3.17
Rot. Bonds4

About (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide (PubChem CID 47048971) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
PubChem CID47048971
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
SMILESCCn1cc(NC(=O)/C=C/c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C16H15ClN2O2/c1-2-19-11-14(7-9-16(19)21)18-15(20)8-6-12-4-3-5-13(17)10-12/h3-11H,2H2,1H3,(H,18,20)/b8-6+
InChIKeySSUXVHVOMFIXMO-SOFGYWHQSA-N
XLogP3.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.17
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

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
CID 108766005
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 60576616
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 75403812

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide (CID 47048971) is (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide is CCn1cc(NC(=O)/C=C/c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide?
The InChIKey is SSUXVHVOMFIXMO-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-19-11-14(7-9-16(19)21)18-15(20)8-6-12-4-3-5-13(17)10-12/h3-11H,2H2,1H3,(H,18,20)/b8-6+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide has a molecular weight of 302.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 47048971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).