4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide

C22H19ClN4O5 — CID 91252221

IUPAC4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(Cl)c(NC(=O)Nc3ccc4c(c3)OCCO4)c2)ccn1
InChIInChI=1S/C22H19ClN4O5/c23-16-3-2-15(32-12-13-5-6-25-18(9-13)21(24)28)11-17(16)27-22(29)26-14-1-4-19-20(10-14)31-8-7-30-19/h1-6,9-11H,7-8,12H2,(H2,24,28)(H2,26,27,29)
InChIKeyFEFJUMYWVWUSMP-UHFFFAOYSA-N
MW454.87 g/mol
LogP3.83
Rot. Bonds6

About 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide

4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 91252221) has the molecular formula C22H19ClN4O5 and a molecular weight of 454.87 g/mol. Its IUPAC name is 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide
PubChem CID91252221
Molecular FormulaC22H19ClN4O5
Molecular Weight454.87 g/mol
Exact Mass454.10
IUPAC Name4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(Cl)c(NC(=O)Nc3ccc4c(c3)OCCO4)c2)ccn1
InChIInChI=1S/C22H19ClN4O5/c23-16-3-2-15(32-12-13-5-6-25-18(9-13)21(24)28)11-17(16)27-22(29)26-14-1-4-19-20(10-14)31-8-7-30-19/h1-6,9-11H,7-8,12H2,(H2,24,28)(H2,26,27,29)
InChIKeyFEFJUMYWVWUSMP-UHFFFAOYSA-N
XLogP3.83
TPSA124.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
CID 91106579
4-[[4-[[4-chloro-3-(trifluoromethyl)phenoxy]carbamoylamino]-2-fluorophenoxy]methyl]pyridine-2-carboxamide
CID 90815080
1-[(4-chloro-3-methylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide
CID 17021937
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2099248
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 30155589
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 110372029
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenoxyphenyl)urea
CID 110372022
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide (CID 91252221) is 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc(Cl)c(NC(=O)Nc3ccc4c(c3)OCCO4)c2)ccn1.
What is the InChIKey of 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is FEFJUMYWVWUSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O5/c23-16-3-2-15(32-12-13-5-6-25-18(9-13)21(24)28)11-17(16)27-22(29)26-14-1-4-19-20(10-14)31-8-7-30-19/h1-6,9-11H,7-8,12H2,(H2,24,28)(H2,26,27,29).
What are the key properties of 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide?
4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 454.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91252221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).