6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

C16H27N5O2 — CID 109115691

IUPAC6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C16H27N5O2/c1-13(2)5-6-17-15-4-3-14(19-20-15)16(22)18-7-8-21-9-11-23-12-10-21/h3-4,13H,5-12H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyUWQZKHNIAJVOEJ-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.00
Rot. Bonds8

About 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109115691) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109115691
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C16H27N5O2/c1-13(2)5-6-17-15-4-3-14(19-20-15)16(22)18-7-8-21-9-11-23-12-10-21/h3-4,13H,5-12H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyUWQZKHNIAJVOEJ-UHFFFAOYSA-N
XLogP1.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109110974
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109111166
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide
CID 109115555
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115651
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
6-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115658
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
6-(2-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115723
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (CID 109115691) is 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)NCCN2CCOCC2)nn1.
What is the InChIKey of 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is UWQZKHNIAJVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(2)5-6-17-15-4-3-14(19-20-15)16(22)18-7-8-21-9-11-23-12-10-21/h3-4,13H,5-12H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).