(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C15H12F2N2O — CID 60555034

IUPAC(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2c(F)cccc2F)n1
InChIInChI=1S/C15H12F2N2O/c1-10-4-2-7-14(18-10)19-15(20)9-8-11-12(16)5-3-6-13(11)17/h2-9H,1H3,(H,18,19,20)/b9-8+
InChIKeyZJXSRLOXIMNIFD-CMDGGOBGSA-N
MW274.27 g/mol
LogP3.32
Rot. Bonds3

About (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 60555034) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID60555034
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2c(F)cccc2F)n1
InChIInChI=1S/C15H12F2N2O/c1-10-4-2-7-14(18-10)19-15(20)9-8-11-12(16)5-3-6-13(11)17/h2-9H,1H3,(H,18,19,20)/b9-8+
InChIKeyZJXSRLOXIMNIFD-CMDGGOBGSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.32
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

(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6165611
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
(E)-N-(6-methyl-2-pyridinyl)-3-[4-[4-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-enyl]-2-(trifluoromethyl)phenyl]sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 142650934
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-4-(2,6-difluorophenyl)but-3-en-2-one
CID 18371119
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76865698
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 110439778
(E)-4-[(6-fluoro-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 116812684
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 60555034) is (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2c(F)cccc2F)n1.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is ZJXSRLOXIMNIFD-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-10-4-2-7-14(18-10)19-15(20)9-8-11-12(16)5-3-6-13(11)17/h2-9H,1H3,(H,18,19,20)/b9-8+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 274.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 60555034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).