N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide

C22H25N3O6 — CID 47042859

IUPACN-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C22H25N3O6/c26-20(3-4-22(27)25-7-9-28-10-8-25)24-13-16-5-6-23-21(12-16)29-14-17-1-2-18-19(11-17)31-15-30-18/h1-2,5-6,11-12H,3-4,7-10,13-15H2,(H,24,26)
InChIKeyXOEYPQAYXXHIQT-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.64
Rot. Bonds8

About N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide

N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 47042859) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID47042859
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C22H25N3O6/c26-20(3-4-22(27)25-7-9-28-10-8-25)24-13-16-5-6-23-21(12-16)29-14-17-1-2-18-19(11-17)31-15-30-18/h1-2,5-6,11-12H,3-4,7-10,13-15H2,(H,24,26)
InChIKeyXOEYPQAYXXHIQT-UHFFFAOYSA-N
XLogP1.64
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide with MolForge

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Related Compounds

N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057976
3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 17489922
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206408
N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109022602
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)propanoyl]piperazine-1-carboxylate
CID 109022741

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide (CID 47042859) is N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is XOEYPQAYXXHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c26-20(3-4-22(27)25-7-9-28-10-8-25)24-13-16-5-6-23-21(12-16)29-14-17-1-2-18-19(11-17)31-15-30-18/h1-2,5-6,11-12H,3-4,7-10,13-15H2,(H,24,26).
What are the key properties of N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 427.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 47042859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).