4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide

C21H16F2N4O5 — CID 91106579

IUPAC4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2cccc(NC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2)ccn1
InChIInChI=1S/C21H16F2N4O5/c22-21(23)31-17-5-4-14(10-18(17)32-21)27-20(29)26-13-2-1-3-15(9-13)30-11-12-6-7-25-16(8-12)19(24)28/h1-10H,11H2,(H2,24,28)(H2,26,27,29)
InChIKeySZAAWBWCDAYWCP-UHFFFAOYSA-N
MW442.38 g/mol
LogP3.72
Rot. Bonds6

About 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide

4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 91106579) has the molecular formula C21H16F2N4O5 and a molecular weight of 442.38 g/mol. Its IUPAC name is 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
PubChem CID91106579
Molecular FormulaC21H16F2N4O5
Molecular Weight442.38 g/mol
Exact Mass442.11
IUPAC Name4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2cccc(NC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2)ccn1
InChIInChI=1S/C21H16F2N4O5/c22-21(23)31-17-5-4-14(10-18(17)32-21)27-20(29)26-13-2-1-3-15(9-13)30-11-12-6-7-25-16(8-12)19(24)28/h1-10H,11H2,(H2,24,28)(H2,26,27,29)
InChIKeySZAAWBWCDAYWCP-UHFFFAOYSA-N
XLogP3.72
TPSA124.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide
CID 91252221
1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 132846933
1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 47041297
4-[[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
CID 91236442
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 10092959
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965
4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide
CID 90729320
4-[[3-[3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91430859
4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 87984351
4-[[3-[3-[4-(3-hydroxyprop-1-ynyl)-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91294687
4-[[3-[3-[4-[3-(dimethylamino)prop-1-ynyl]-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91253174
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide (CID 91106579) is 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2cccc(NC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2)ccn1.
What is the InChIKey of 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is SZAAWBWCDAYWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O5/c22-21(23)31-17-5-4-14(10-18(17)32-21)27-20(29)26-13-2-1-3-15(9-13)30-11-12-6-7-25-16(8-12)19(24)28/h1-10H,11H2,(H2,24,28)(H2,26,27,29).
What are the key properties of 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 442.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91106579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).