N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide

C19H21N3O4 — CID 3244817

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c23-19(14-3-4-17-18(10-14)26-13-25-17)21-12-16(15-2-1-5-20-11-15)22-6-8-24-9-7-22/h1-5,10-11,16H,6-9,12-13H2,(H,21,23)
InChIKeyKSZRXSQSTKXKDS-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.61
Rot. Bonds5

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 3244817) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID3244817
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c23-19(14-3-4-17-18(10-14)26-13-25-17)21-12-16(15-2-1-5-20-11-15)22-6-8-24-9-7-22/h1-5,10-11,16H,6-9,12-13H2,(H,21,23)
InChIKeyKSZRXSQSTKXKDS-UHFFFAOYSA-N
XLogP1.61
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide (CID 3244817) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide is O=C(NCC(c1cccnc1)N1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is KSZRXSQSTKXKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-19(14-3-4-17-18(10-14)26-13-25-17)21-12-16(15-2-1-5-20-11-15)22-6-8-24-9-7-22/h1-5,10-11,16H,6-9,12-13H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3244817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).