N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

C17H22N4O — CID 109118261

IUPACN,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)17(22)15-9-10-16(20-19-15)18-12-14-8-6-7-13(3)11-14/h6-11H,4-5,12H2,1-3H3,(H,18,20)
InChIKeyFMPHZFORGLIILR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.88
Rot. Bonds6

About N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118261) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118261
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)17(22)15-9-10-16(20-19-15)18-12-14-8-6-7-13(3)11-14/h6-11H,4-5,12H2,1-3H3,(H,18,20)
InChIKeyFMPHZFORGLIILR-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
CID 109118268
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118261) is N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(NCc2cccc(C)c2)nn1.
What is the InChIKey of N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is FMPHZFORGLIILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-21(5-2)17(22)15-9-10-16(20-19-15)18-12-14-8-6-7-13(3)11-14/h6-11H,4-5,12H2,1-3H3,(H,18,20).
What are the key properties of N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).