N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C21H18N2O5 — CID 55663053

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H18N2O5/c1-25-15-5-7-16(8-6-15)28-21-17(3-2-10-22-21)23-20(24)14-4-9-18-19(13-14)27-12-11-26-18/h2-10,13H,11-12H2,1H3,(H,23,24)
InChIKeyKNUMPAKVDOPISI-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 55663053) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID55663053
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H18N2O5/c1-25-15-5-7-16(8-6-15)28-21-17(3-2-10-22-21)23-20(24)14-4-9-18-19(13-14)27-12-11-26-18/h2-10,13H,11-12H2,1H3,(H,23,24)
InChIKeyKNUMPAKVDOPISI-UHFFFAOYSA-N
XLogP3.91
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 51279505
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55763825
2-bromo-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55764139
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55873301
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55763737
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1167017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 55663053) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1ccc(Oc2ncccc2NC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is KNUMPAKVDOPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-25-15-5-7-16(8-6-15)28-21-17(3-2-10-22-21)23-20(24)14-4-9-18-19(13-14)27-12-11-26-18/h2-10,13H,11-12H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 55663053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).