N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide

C18H19N3O4 — CID 126473581

IUPACN-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(N2CCOCC2)n1
InChIInChI=1S/C18H19N3O4/c1-12-2-4-14(17(19-12)21-6-8-23-9-7-21)18(22)20-13-3-5-15-16(10-13)25-11-24-15/h2-5,10H,6-9,11H2,1H3,(H,20,22)
InChIKeyICRVWYMWSBSGHQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.21
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 126473581) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID126473581
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(N2CCOCC2)n1
InChIInChI=1S/C18H19N3O4/c1-12-2-4-14(17(19-12)21-6-8-23-9-7-21)18(22)20-13-3-5-15-16(10-13)25-11-24-15/h2-5,10H,6-9,11H2,1H3,(H,20,22)
InChIKeyICRVWYMWSBSGHQ-UHFFFAOYSA-N
XLogP2.21
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.21
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-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide (CID 126473581) is N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(N2CCOCC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is ICRVWYMWSBSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-2-4-14(17(19-12)21-6-8-23-9-7-21)18(22)20-13-3-5-15-16(10-13)25-11-24-15/h2-5,10H,6-9,11H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.21, 3 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-yl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 126473581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).