N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide

C17H20N4O2 — CID 109114873

IUPACN-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(NCC2CCCO2)nn1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-21(13-6-3-2-4-7-13)17(22)15-9-10-16(20-19-15)18-12-14-8-5-11-23-14/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,18,20)
InChIKeyUWYCUWUTTFNOCH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide

N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109114873) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
PubChem CID109114873
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(NCC2CCCO2)nn1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-21(13-6-3-2-4-7-13)17(22)15-9-10-16(20-19-15)18-12-14-8-5-11-23-14/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,18,20)
InChIKeyUWYCUWUTTFNOCH-UHFFFAOYSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-phenylthiourea
CID 8620096
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
3,4-dihydro-1H-isoquinolin-2-yl-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114824

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide (CID 109114873) is N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide is CN(C(=O)c1ccc(NCC2CCCO2)nn1)c1ccccc1.
What is the InChIKey of N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is UWYCUWUTTFNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(13-6-3-2-4-7-13)17(22)15-9-10-16(20-19-15)18-12-14-8-5-11-23-14/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,18,20).
What are the key properties of N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide?
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109114873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).