4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

C22H18N4O5 — CID 24821306

IUPAC4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc5c4OCCO5)oc3c2)ccn1
InChIInChI=1S/C22H18N4O5/c1-23-21(27)17-11-14(7-8-24-17)30-13-5-6-15-19(12-13)31-22(25-15)26-16-3-2-4-18-20(16)29-10-9-28-18/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,25,26)
InChIKeyKNWQQHATXPIOAM-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.89
Rot. Bonds5

About 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 24821306) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID24821306
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC Name4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc5c4OCCO5)oc3c2)ccn1
InChIInChI=1S/C22H18N4O5/c1-23-21(27)17-11-14(7-8-24-17)30-13-5-6-15-19(12-13)31-22(25-15)26-16-3-2-4-18-20(16)29-10-9-28-18/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,25,26)
InChIKeyKNWQQHATXPIOAM-UHFFFAOYSA-N
XLogP3.89
TPSA107.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24822064
4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642190
N-methyl-4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821671
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821933
N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821608
4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821728
4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 54584640
1-[[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid;N-methyl-4-[[2-[[1-(methylcarbamoyl)cyclohexyl]methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 159225657
4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813172
4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780749
4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780773

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 24821306) is 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc5c4OCCO5)oc3c2)ccn1.
What is the InChIKey of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is KNWQQHATXPIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c1-23-21(27)17-11-14(7-8-24-17)30-13-5-6-15-19(12-13)31-22(25-15)26-16-3-2-4-18-20(16)29-10-9-28-18/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 24821306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).