N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

C17H20N4O2 — CID 109114870

IUPACN-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C17H20N4O2/c1-12-5-2-3-7-14(12)19-17(22)15-8-9-16(21-20-15)18-11-13-6-4-10-23-13/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyWZOSECIWCNNVFK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds5

About N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109114870) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109114870
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C17H20N4O2/c1-12-5-2-3-7-14(12)19-17(22)15-8-9-16(21-20-15)18-11-13-6-4-10-23-13/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyWZOSECIWCNNVFK-UHFFFAOYSA-N
XLogP2.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109114870) is N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is Cc1ccccc1NC(=O)c1ccc(NCC2CCCO2)nn1.
What is the InChIKey of N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is WZOSECIWCNNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-5-2-3-7-14(12)19-17(22)15-8-9-16(21-20-15)18-11-13-6-4-10-23-13/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).