4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C22H17F2N3O3 — CID 130247726

IUPAC4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3F)cc2)ccn1
InChIInChI=1S/C22H17F2N3O3/c1-25-22(29)20-13-18(10-11-26-20)30-17-7-5-16(6-8-17)27-21(28)9-3-14-2-4-15(23)12-19(14)24/h2-13H,1H3,(H,25,29)(H,27,28)/b9-3+
InChIKeyUWFNOGDATBIMHG-YCRREMRBSA-N
MW409.39 g/mol
LogP4.16
Rot. Bonds6

About 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 130247726) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID130247726
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3F)cc2)ccn1
InChIInChI=1S/C22H17F2N3O3/c1-25-22(29)20-13-18(10-11-26-20)30-17-7-5-16(6-8-17)27-21(28)9-3-14-2-4-15(23)12-19(14)24/h2-13H,1H3,(H,25,29)(H,27,28)/b9-3+
InChIKeyUWFNOGDATBIMHG-YCRREMRBSA-N
XLogP4.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[[(E)-3-(6-fluoro-1H-indol-3-yl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130248769
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N-methyl-4-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenoxy]pyridine-2-carboxamide
CID 130248768
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 130247726) is 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3F)cc2)ccn1.
What is the InChIKey of 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is UWFNOGDATBIMHG-YCRREMRBSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-25-22(29)20-13-18(10-11-26-20)30-17-7-5-16(6-8-17)27-21(28)9-3-14-2-4-15(23)12-19(14)24/h2-13H,1H3,(H,25,29)(H,27,28)/b9-3+.
What are the key properties of 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 130247726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).