(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide

C22H19FN2O2 — CID 84562015

IUPAC(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
SMILESCc1ccccc1COc1cccnc1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C22H19FN2O2/c1-16-6-2-3-8-18(16)15-27-20-10-5-13-24-22(20)25-21(26)12-11-17-7-4-9-19(23)14-17/h2-14H,15H2,1H3,(H,24,25,26)/b12-11+
InChIKeyJYONVJGTCAGYNO-VAWYXSNFSA-N
MW362.40 g/mol
LogP4.76
Rot. Bonds6

About (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide (PubChem CID 84562015) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
PubChem CID84562015
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
SMILESCc1ccccc1COc1cccnc1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C22H19FN2O2/c1-16-6-2-3-8-18(16)15-27-20-10-5-13-24-22(20)25-21(26)12-11-17-7-4-9-19(23)14-17/h2-14H,15H2,1H3,(H,24,25,26)/b12-11+
InChIKeyJYONVJGTCAGYNO-VAWYXSNFSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480
N-[3-(3-cyanopropoxy)-2-pyridinyl]-3-(3-fluorophenyl)prop-2-enamide
CID 72684835
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4586073
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
(E)-N-(4-bromo-2-fluorophenyl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 53267331

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide (CID 84562015) is (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide is Cc1ccccc1COc1cccnc1NC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide?
The InChIKey is JYONVJGTCAGYNO-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-16-6-2-3-8-18(16)15-27-20-10-5-13-24-22(20)25-21(26)12-11-17-7-4-9-19(23)14-17/h2-14H,15H2,1H3,(H,24,25,26)/b12-11+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide has a molecular weight of 362.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 84562015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).