(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide

C16H14Cl2N2O — CID 868317

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c1-10-7-11(2)19-15(8-10)20-16(21)6-4-12-3-5-13(17)9-14(12)18/h3-9H,1-2H3,(H,19,20,21)/b6-4+
InChIKeyWFQTZYKJWOITIP-GQCTYLIASA-N
MW321.21 g/mol
LogP4.66
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide (PubChem CID 868317) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
PubChem CID868317
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c1-10-7-11(2)19-15(8-10)20-16(21)6-4-12-3-5-13(17)9-14(12)18/h3-9H,1-2H3,(H,19,20,21)/b6-4+
InChIKeyWFQTZYKJWOITIP-GQCTYLIASA-N
XLogP4.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670267
2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
3-chloro-N-(6-methylpyridin-2-yl)benzamide
CID 835261
(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 885148
N,N'-2,6-pyridinediylbis(4-chlorobenzamide)
CID 2837061
N-(5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl)pivalamide
CID 10195276
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11167681
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11283445
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-isopropyl-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11386749
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11454267
N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide
CID 118126600
4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420206

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide (CID 868317) is (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide is Cc1cc(C)nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The InChIKey is WFQTZYKJWOITIP-GQCTYLIASA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-7-11(2)19-15(8-10)20-16(21)6-4-12-3-5-13(17)9-14(12)18/h3-9H,1-2H3,(H,19,20,21)/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide has a molecular weight of 321.21 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 868317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).