N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide

C20H20F2N2O — CID 155394946

IUPACN-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc(C)c(/C=C\CCC)c2)cc(F)c1F
InChIInChI=1S/C20H20F2N2O/c1-4-6-7-8-14-9-16(12-23-13(14)3)15-10-17(21)20(22)18(11-15)24-19(25)5-2/h5,7-12H,2,4,6H2,1,3H3,(H,24,25)/b8-7-
InChIKeyQUOVHASQCDOAFV-FPLPWBNLSA-N
MW342.39 g/mol
LogP5.27
Rot. Bonds6

About N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide

N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide (PubChem CID 155394946) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide
PubChem CID155394946
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc(C)c(/C=C\CCC)c2)cc(F)c1F
InChIInChI=1S/C20H20F2N2O/c1-4-6-7-8-14-9-16(12-23-13(14)3)15-10-17(21)20(22)18(11-15)24-19(25)5-2/h5,7-12H,2,4,6H2,1,3H3,(H,24,25)/b8-7-
InChIKeyQUOVHASQCDOAFV-FPLPWBNLSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.27
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 N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide (CID 155394946) is N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cnc(C)c(/C=C\CCC)c2)cc(F)c1F.
What is the InChIKey of N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide?
The InChIKey is QUOVHASQCDOAFV-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-4-6-7-8-14-9-16(12-23-13(14)3)15-10-17(21)20(22)18(11-15)24-19(25)5-2/h5,7-12H,2,4,6H2,1,3H3,(H,24,25)/b8-7-.
What are the key properties of N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide?
N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide has a molecular weight of 342.39 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-5-[6-methyl-5-[(Z)-pent-1-enyl]-3-pyridinyl]phenyl]prop-2-enamide is sourced from PubChem (CID 155394946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).