N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide

C13H20N4O3 — CID 62179195

IUPACN-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCC2COCCO2)nn1
InChIInChI=1S/C13H20N4O3/c1-2-5-14-12-4-3-11(16-17-12)13(18)15-8-10-9-19-6-7-20-10/h3-4,10H,2,5-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyVDZRIXXBBRTMMF-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.44
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62179195) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62179195
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCC2COCCO2)nn1
InChIInChI=1S/C13H20N4O3/c1-2-5-14-12-4-3-11(16-17-12)13(18)15-8-10-9-19-6-7-20-10/h3-4,10H,2,5-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyVDZRIXXBBRTMMF-UHFFFAOYSA-N
XLogP0.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181314
3-chloro-N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62179373
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62180963
N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106000656
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374710
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
N-ethyl-6-(morpholin-3-ylmethylamino)pyridazine-3-carboxamide
CID 103549300
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide (CID 62179195) is N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCC2COCCO2)nn1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is VDZRIXXBBRTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-5-14-12-4-3-11(16-17-12)13(18)15-8-10-9-19-6-7-20-10/h3-4,10H,2,5-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62179195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).