(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide

C19H18F4N2O5 — CID 55635307

IUPAC(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
SMILESCOCCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cn1
InChIInChI=1S/C19H18F4N2O5/c1-27-8-9-28-17-7-4-13(11-24-17)25-16(26)6-3-12-2-5-14(29-18(20)21)10-15(12)30-19(22)23/h2-7,10-11,18-19H,8-9H2,1H3,(H,25,26)/b6-3+
InChIKeyNMIXMQVJSXVVTM-ZZXKWVIFSA-N
MW430.35 g/mol
LogP3.96
Rot. Bonds11

About (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide (PubChem CID 55635307) has the molecular formula C19H18F4N2O5 and a molecular weight of 430.35 g/mol. Its IUPAC name is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
PubChem CID55635307
Molecular FormulaC19H18F4N2O5
Molecular Weight430.35 g/mol
Exact Mass430.12
IUPAC Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
SMILESCOCCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cn1
InChIInChI=1S/C19H18F4N2O5/c1-27-8-9-28-17-7-4-13(11-24-17)25-16(26)6-3-12-2-5-14(29-18(20)21)10-15(12)30-19(22)23/h2-7,10-11,18-19H,8-9H2,1H3,(H,25,26)/b6-3+
InChIKeyNMIXMQVJSXVVTM-ZZXKWVIFSA-N
XLogP3.96
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 8571908
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9192668
2,2,3,3-tetrafluoro-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 103732741
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480899
(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide
CID 38853151
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]prop-2-enamide
CID 41359971
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
CID 60605508
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide (CID 55635307) is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide is COCCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cn1.
What is the InChIKey of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
The InChIKey is NMIXMQVJSXVVTM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H18F4N2O5/c1-27-8-9-28-17-7-4-13(11-24-17)25-16(26)6-3-12-2-5-14(29-18(20)21)10-15(12)30-19(22)23/h2-7,10-11,18-19H,8-9H2,1H3,(H,25,26)/b6-3+.
What are the key properties of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide has a molecular weight of 430.35 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 55635307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).