N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide

C18H19N3O4 — CID 2738865

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H19N3O4/c22-18(20-10-13-1-3-15-16(9-13)25-12-24-15)14-2-4-17(19-11-14)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,20,22)
InChIKeyLHXMFSZYBCQLPO-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.58
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 2738865) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID2738865
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H19N3O4/c22-18(20-10-13-1-3-15-16(9-13)25-12-24-15)14-2-4-17(19-11-14)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,20,22)
InChIKeyLHXMFSZYBCQLPO-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 2738865) is N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is LHXMFSZYBCQLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(20-10-13-1-3-15-16(9-13)25-12-24-15)14-2-4-17(19-11-14)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 2738865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).