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

C24H30N6O2 — CID 122288653

IUPACN-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc1
InChIInChI=1S/C24H30N6O2/c1-3-4-5-16-32-20-8-6-19(7-9-20)24(31)27-15-14-26-21-10-11-22(30-29-21)28-23-17-18(2)12-13-25-23/h6-13,17H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,31)(H,25,28,30)
InChIKeyLGAWMCXEMBMNEH-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.33
Rot. Bonds12

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

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide (PubChem CID 122288653) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
PubChem CID122288653
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc1
InChIInChI=1S/C24H30N6O2/c1-3-4-5-16-32-20-8-6-19(7-9-20)24(31)27-15-14-26-21-10-11-22(30-29-21)28-23-17-18(2)12-13-25-23/h6-13,17H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,31)(H,25,28,30)
InChIKeyLGAWMCXEMBMNEH-UHFFFAOYSA-N
XLogP4.33
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315371
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
4-butoxy-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064553
4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066466
3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 122288707
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
4-tert-butyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314519
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
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
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
The IUPAC name of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide (CID 122288653) is N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
The canonical SMILES for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc1.
What is the InChIKey of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
The InChIKey is LGAWMCXEMBMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-4-5-16-32-20-8-6-19(7-9-20)24(31)27-15-14-26-21-10-11-22(30-29-21)28-23-17-18(2)12-13-25-23/h6-13,17H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,31)(H,25,28,30).
What are the key properties of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.33, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide is sourced from PubChem (CID 122288653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).