N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide

C15H12F2N2O2 — CID 2800710

IUPACN-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H12F2N2O2/c1-9(2)14(20)19-12-4-3-7-18-15(12)21-13-6-5-10(16)8-11(13)17/h3-8H,1H2,2H3,(H,19,20)
InChIKeyOMMFNRHRJQFGAQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.67
Rot. Bonds4

About N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide

N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide (PubChem CID 2800710) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide
PubChem CID2800710
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H12F2N2O2/c1-9(2)14(20)19-12-4-3-7-18-15(12)21-13-6-5-10(16)8-11(13)17/h3-8H,1H2,2H3,(H,19,20)
InChIKeyOMMFNRHRJQFGAQ-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.67
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

6-(2-Fluorophenoxy)pyridin-3-amine
CID 2800656
6-(4-Fluorophenoxy)pyridin-3-amine
CID 421224
3-Amino-2-(4-fluorophenoxy)pyridine
CID 2735921
6-Phenoxy-3-pyridinamine
CID 212856
2-(2,4-Difluorophenoxy)-3-pyridinamine
CID 2735906
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 862099
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
(E)-2-cyano-3-(2-propoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 1969673
N1-[2-(2-fluorophenoxy)-3-pyridyl]-3-phenylacrylamide
CID 5712983
(2E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-pyridyl)prop-2-enamide
CID 7481152
1-(2,4-Difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 11531074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide (CID 2800710) is N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
The InChIKey is OMMFNRHRJQFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-9(2)14(20)19-12-4-3-7-18-15(12)21-13-6-5-10(16)8-11(13)17/h3-8H,1H2,2H3,(H,19,20).
What are the key properties of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide has a molecular weight of 290.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide is sourced from PubChem (CID 2800710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).