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

C16H15ClN2O — CID 2168596

IUPAC(E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-11-9-12(2)18-15(10-11)19-16(20)8-7-13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+
InChIKeyHBQXDZACPLJTAN-BQYQJAHWSA-N
MW286.76 g/mol
LogP4.00
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide (PubChem CID 2168596) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
PubChem CID2168596
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-11-9-12(2)18-15(10-11)19-16(20)8-7-13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+
InChIKeyHBQXDZACPLJTAN-BQYQJAHWSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide (CID 2168596) is (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide is Cc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The InChIKey is HBQXDZACPLJTAN-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-9-12(2)18-15(10-11)19-16(20)8-7-13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide has a molecular weight of 286.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 2168596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).