N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide

C18H21N5O4 — CID 109115624

IUPACN-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCN2CCOCC2)nn1
InChIInChI=1S/C18H21N5O4/c24-18(20-13-1-3-15-16(11-13)27-12-26-15)14-2-4-17(22-21-14)19-5-6-23-7-9-25-10-8-23/h1-4,11H,5-10,12H2,(H,19,22)(H,20,24)
InChIKeyDIAPETWASFDGKX-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.20
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide (PubChem CID 109115624) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
PubChem CID109115624
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCN2CCOCC2)nn1
InChIInChI=1S/C18H21N5O4/c24-18(20-13-1-3-15-16(11-13)27-12-26-15)14-2-4-17(22-21-14)19-5-6-23-7-9-25-10-8-23/h1-4,11H,5-10,12H2,(H,19,22)(H,20,24)
InChIKeyDIAPETWASFDGKX-UHFFFAOYSA-N
XLogP1.20
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277712
N-(3,5-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115633
N-(3-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115615
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109111166
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide (CID 109115624) is N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCN2CCOCC2)nn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide?
The InChIKey is DIAPETWASFDGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c24-18(20-13-1-3-15-16(11-13)27-12-26-15)14-2-4-17(22-21-14)19-5-6-23-7-9-25-10-8-23/h1-4,11H,5-10,12H2,(H,19,22)(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).