(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C25H27N5O4 — CID 31018930

IUPAC(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCOc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H](c2cccnc2)N2CCOCC2)O3)nn1
InChIInChI=1S/C25H27N5O4/c1-32-23-7-5-21(28-29-23)17-4-6-22-19(13-17)14-20(34-22)16-27-25(31)24(18-3-2-8-26-15-18)30-9-11-33-12-10-30/h2-8,13,15,20,24H,9-12,14,16H2,1H3,(H,27,31)/t20-,24-/m1/s1
InChIKeyXASRJMAGBASKLV-HYBUGGRVSA-N
MW461.52 g/mol
LogP2.04
Rot. Bonds7

About (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 31018930) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID31018930
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCOc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H](c2cccnc2)N2CCOCC2)O3)nn1
InChIInChI=1S/C25H27N5O4/c1-32-23-7-5-21(28-29-23)17-4-6-22-19(13-17)14-20(34-22)16-27-25(31)24(18-3-2-8-26-15-18)30-9-11-33-12-10-30/h2-8,13,15,20,24H,9-12,14,16H2,1H3,(H,27,31)/t20-,24-/m1/s1
InChIKeyXASRJMAGBASKLV-HYBUGGRVSA-N
XLogP2.04
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 56854792
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 42170101
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
(2S)-N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 26360433
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664
N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 45166687
(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97188095
2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]-2-pyridin-3-ylacetamide
CID 72904137

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 31018930) is (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H](c2cccnc2)N2CCOCC2)O3)nn1.
What is the InChIKey of (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is XASRJMAGBASKLV-HYBUGGRVSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-32-23-7-5-21(28-29-23)17-4-6-22-19(13-17)14-20(34-22)16-27-25(31)24(18-3-2-8-26-15-18)30-9-11-33-12-10-30/h2-8,13,15,20,24H,9-12,14,16H2,1H3,(H,27,31)/t20-,24-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 461.52 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 31018930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).