N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide

C11H16N4O2 — CID 79208062

IUPACN-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCOC2)nn1
InChIInChI=1S/C11H16N4O2/c1-12-11(16)9-4-5-10(15-14-9)13-8-3-2-6-17-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyICWNTDFWEAAGBH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.43
Rot. Bonds3

About N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide

N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide (PubChem CID 79208062) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
PubChem CID79208062
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCOC2)nn1
InChIInChI=1S/C11H16N4O2/c1-12-11(16)9-4-5-10(15-14-9)13-8-3-2-6-17-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyICWNTDFWEAAGBH-UHFFFAOYSA-N
XLogP0.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463729
N-cyclohexyl-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
CID 141463762
N-cyclohexyl-6-morpholinopyridazine-3-carboxamide
CID 109112982
US11591331, Example 61
CID 167845001
3-Pyridazinecarboxylic acid, 6-morpholino-, 2-(2-carboxy-1-methylethylidene)hydrazide, ethyl ester
CID 13382920
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802679
6-(6-Oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
CID 71847340
6-[cyclobutyl(methyl)amino]-N-methylpyridazine-3-carboxamide
CID 75375755
N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
CID 84589377
N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide
CID 86769650
N-methyl-6-(piperazin-1-yl)pyridazine-3-carboxamide dihydrochloride
CID 165943092
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-6-morpholinopyridazine-3-carboxamide
CID 71778606

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide (CID 79208062) is N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide is CNC(=O)c1ccc(NC2CCCOC2)nn1.
What is the InChIKey of N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide?
The InChIKey is ICWNTDFWEAAGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-11(16)9-4-5-10(15-14-9)13-8-3-2-6-17-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide?
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79208062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).