N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H20N2O4 — CID 56749217

IUPACN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C22H20N2O4/c1-15-7-2-3-9-17(15)28-22-16(8-6-12-23-22)13-24-21(25)20-14-26-18-10-4-5-11-19(18)27-20/h2-12,20H,13-14H2,1H3,(H,24,25)
InChIKeyJATKFZSNMQPXJX-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.64
Rot. Bonds5

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

N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 56749217) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID56749217
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C22H20N2O4/c1-15-7-2-3-9-17(15)28-22-16(8-6-12-23-22)13-24-21(25)20-14-26-18-10-4-5-11-19(18)27-20/h2-12,20H,13-14H2,1H3,(H,24,25)
InChIKeyJATKFZSNMQPXJX-UHFFFAOYSA-N
XLogP3.64
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94633935
(3R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30379318
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2867490
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45248847
(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94353144
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134004650
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 28809319
N'-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-2-ethoxypyridine-3-carbohydrazide
CID 7936972
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 79531291
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 56749217) is N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccccc1Oc1ncccc1CNC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is JATKFZSNMQPXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15-7-2-3-9-17(15)28-22-16(8-6-12-23-22)13-24-21(25)20-14-26-18-10-4-5-11-19(18)27-20/h2-12,20H,13-14H2,1H3,(H,24,25).
What are the key properties of N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 56749217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).