N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide

C16H16N2O — CID 3439581

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
SMILESCc1cc(C)nc(NC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C16H16N2O/c1-12-10-13(2)17-15(11-12)18-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18,19)
InChIKeyOTDZQCNOCJWAHP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide

N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 3439581) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
PubChem CID3439581
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
SMILESCc1cc(C)nc(NC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C16H16N2O/c1-12-10-13(2)17-15(11-12)18-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18,19)
InChIKeyOTDZQCNOCJWAHP-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.35
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

3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
CID 896291
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 67697276
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-(4,6-dimethyl-2-pyridinyl)-2,2-diphenylacetamide
CID 844918
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide (CID 3439581) is N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide is Cc1cc(C)nc(NC(=O)C=Cc2ccccc2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is OTDZQCNOCJWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-10-13(2)17-15(11-12)18-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18,19).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide?
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 252.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 3439581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).