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

C21H24N6O — CID 121064501

IUPAC2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)c3ccc(C)cc3C)nn2)c1
InChIInChI=1S/C21H24N6O/c1-14-4-5-17(16(3)12-14)21(28)24-11-10-23-18-6-7-19(27-26-18)25-20-13-15(2)8-9-22-20/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,28)(H,22,25,27)
InChIKeyPIOFUIXWMAYCTC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.38
Rot. Bonds7

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

2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 121064501) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID121064501
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)c3ccc(C)cc3C)nn2)c1
InChIInChI=1S/C21H24N6O/c1-14-4-5-17(16(3)12-14)21(28)24-11-10-23-18-6-7-19(27-26-18)25-20-13-15(2)8-9-22-20/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,28)(H,22,25,27)
InChIKeyPIOFUIXWMAYCTC-UHFFFAOYSA-N
XLogP3.38
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122288653
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288649
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121064588
2,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314561
4-tert-butyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314519
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122288549
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122288674
(E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288698
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide (CID 121064501) is 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide is Cc1ccnc(Nc2ccc(NCCNC(=O)c3ccc(C)cc3C)nn2)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is PIOFUIXWMAYCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-4-5-17(16(3)12-14)21(28)24-11-10-23-18-6-7-19(27-26-18)25-20-13-15(2)8-9-22-20/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,28)(H,22,25,27).
What are the key properties of 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 121064501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).