2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide

C18H19N3O4 — CID 75405128

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C18H19N3O4/c22-17(11-13-3-4-15-16(10-13)25-12-24-15)20-14-2-1-5-19-18(14)21-6-8-23-9-7-21/h1-5,10H,6-9,11-12H2,(H,20,22)
InChIKeyFBKDSVJKNZKCBL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.83
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide (PubChem CID 75405128) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide
PubChem CID75405128
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C18H19N3O4/c22-17(11-13-3-4-15-16(10-13)25-12-24-15)20-14-2-1-5-19-18(14)21-6-8-23-9-7-21/h1-5,10H,6-9,11-12H2,(H,20,22)
InChIKeyFBKDSVJKNZKCBL-UHFFFAOYSA-N
XLogP1.83
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 122298889
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 166183666
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531
2-(1,3-benzoxazol-6-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 110771873
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111844551
(3S)-N-(2-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94641222
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189844
N-(2-morpholin-4-yl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119845865

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide (CID 75405128) is 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1cccnc1N1CCOCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide?
The InChIKey is FBKDSVJKNZKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(11-13-3-4-15-16(10-13)25-12-24-15)20-14-2-1-5-19-18(14)21-6-8-23-9-7-21/h1-5,10H,6-9,11-12H2,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 75405128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).