2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C17H15N3O — CID 3336662

IUPAC2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-6-8-14(9-7-12)10-15(11-18)17(21)20-16-5-3-4-13(2)19-16/h3-10H,1-2H3,(H,19,20,21)
InChIKeyJFPUPEXZACZMJZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.24
Rot. Bonds3

About 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 3336662) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID3336662
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-6-8-14(9-7-12)10-15(11-18)17(21)20-16-5-3-4-13(2)19-16/h3-10H,1-2H3,(H,19,20,21)
InChIKeyJFPUPEXZACZMJZ-UHFFFAOYSA-N
XLogP3.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butylphenyl)-2-cyano-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 948947
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
3-(4-tert-butylphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 4542593
3-[[2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 3488338
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoic acid
CID 957163
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 82109222
(E)-2-cyano-3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 1271874
(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
CID 889937
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
CID 729380
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 6213837

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 3336662) is 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is Cc1ccc(C=C(C#N)C(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is JFPUPEXZACZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-8-14(9-7-12)10-15(11-18)17(21)20-16-5-3-4-13(2)19-16/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 3336662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).