3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide

C21H23N5O — CID 113042844

IUPAC3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)CCc3ccncc3)nn2)cc1C
InChIInChI=1S/C21H23N5O/c1-15-4-5-18(14-16(15)2)21(27)23-19-6-7-20(25-24-19)26(3)13-10-17-8-11-22-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24,27)
InChIKeyUSRSONUCGIIKRE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.42
Rot. Bonds6

About 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide

3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide (PubChem CID 113042844) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
PubChem CID113042844
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)CCc3ccncc3)nn2)cc1C
InChIInChI=1S/C21H23N5O/c1-15-4-5-18(14-16(15)2)21(27)23-19-6-7-20(25-24-19)26(3)13-10-17-8-11-22-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24,27)
InChIKeyUSRSONUCGIIKRE-UHFFFAOYSA-N
XLogP3.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113042890
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042862
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113042856
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
CID 113027886

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide (CID 113042844) is 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(N(C)CCc3ccncc3)nn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
The InChIKey is USRSONUCGIIKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-4-5-18(14-16(15)2)21(27)23-19-6-7-20(25-24-19)26(3)13-10-17-8-11-22-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24,27).
What are the key properties of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).