4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide

C42H26F10N8O10 — CID 87984351

IUPAC4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(F)c2)ccn1.NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(F)c2)ccn1
InChIInChI=1S/2C21H13F5N4O5/c2*22-14-8-11(33-12-5-6-28-16(9-12)18(27)31)2-3-15(14)30-19(32)29-10-1-4-17-13(7-10)20(23,24)35-21(25,26)34-17/h2*1-9H,(H2,27,31)(H2,29,30,32)
InChIKeyUDTFFBSDFOXWGQ-UHFFFAOYSA-N
MW992.70 g/mol
LogP9.53
Rot. Bonds10

About 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 87984351) has the molecular formula C42H26F10N8O10 and a molecular weight of 992.70 g/mol. Its IUPAC name is 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID87984351
Molecular FormulaC42H26F10N8O10
Molecular Weight992.70 g/mol
Exact Mass992.16
IUPAC Name4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(F)c2)ccn1.NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(F)c2)ccn1
InChIInChI=1S/2C21H13F5N4O5/c2*22-14-8-11(33-12-5-6-28-16(9-12)18(27)31)2-3-15(14)30-19(32)29-10-1-4-17-13(7-10)20(23,24)35-21(25,26)34-17/h2*1-9H,(H2,27,31)(H2,29,30,32)
InChIKeyUDTFFBSDFOXWGQ-UHFFFAOYSA-N
XLogP9.53
TPSA249.60 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500992.70
LogP ≤ 59.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluorophenyl]-3-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)urea
CID 10435180
N-methyl-4-[3-methyl-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 59987487
N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 87984530
4-[3-fluoro-4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10436350
N-(2-piperidin-1-ylethyl)-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 59987443
4-[4-(1,3-benzodioxol-5-ylcarbamoylamino)-3-fluorophenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157179522
1-[3-bromo-4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)urea
CID 10437272
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;trifluoromethanesulfonic acid
CID 71511492
1-[4-[(2-carbamimidoyl-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[2-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]phenyl]-3-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)urea
CID 87990264
1-[4-[(2-cyano-4-pyridinyl)oxy]-3-methoxyphenyl]-3-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)urea
CID 10435670
4-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10048974
2-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]-2-oxoacetamide
CID 141458307

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 87984351) is 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide is NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(F)c2)ccn1.NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(F)c2)ccn1.
What is the InChIKey of 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is UDTFFBSDFOXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H13F5N4O5/c2*22-14-8-11(33-12-5-6-28-16(9-12)18(27)31)2-3-15(14)30-19(32)29-10-1-4-17-13(7-10)20(23,24)35-21(25,26)34-17/h2*1-9H,(H2,27,31)(H2,29,30,32).
What are the key properties of 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 992.70 g/mol, XLogP of 9.53, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 87984351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).