N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide

C15H24N4O2 — CID 106000656

IUPACN-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCC2CCCCO2)nn1
InChIInChI=1S/C15H24N4O2/c1-2-9-16-14-7-6-13(18-19-14)15(20)17-10-8-12-5-3-4-11-21-12/h6-7,12H,2-5,8-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyXFBGREQPGRBTMX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide

N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 106000656) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
PubChem CID106000656
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCC2CCCCO2)nn1
InChIInChI=1S/C15H24N4O2/c1-2-9-16-14-7-6-13(18-19-14)15(20)17-10-8-12-5-3-4-11-21-12/h6-7,12H,2-5,8-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyXFBGREQPGRBTMX-UHFFFAOYSA-N
XLogP1.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62179195
N-(2-cyclopentyloxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 63832896
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide (CID 106000656) is N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCCC2CCCCO2)nn1.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is XFBGREQPGRBTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-9-16-14-7-6-13(18-19-14)15(20)17-10-8-12-5-3-4-11-21-12/h6-7,12H,2-5,8-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 106000656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).