N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide

C24H30N6O2 — CID 122326918

IUPACN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3ccc(C)cn3)nn2)cc1
InChIInChI=1S/C24H30N6O2/c1-3-4-5-16-32-20-9-7-19(8-10-20)24(31)26-15-14-25-22-12-13-23(30-29-22)28-21-11-6-18(2)17-27-21/h6-13,17H,3-5,14-16H2,1-2H3,(H,25,29)(H,26,31)(H,27,28,30)
InChIKeySBUKJFFVIDSXGO-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.33
Rot. Bonds12

About N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide (PubChem CID 122326918) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
PubChem CID122326918
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3ccc(C)cn3)nn2)cc1
InChIInChI=1S/C24H30N6O2/c1-3-4-5-16-32-20-9-7-19(8-10-20)24(31)26-15-14-25-22-12-13-23(30-29-22)28-21-11-6-18(2)17-27-21/h6-13,17H,3-5,14-16H2,1-2H3,(H,25,29)(H,26,31)(H,27,28,30)
InChIKeySBUKJFFVIDSXGO-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

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122288653
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066466
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315371
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
The IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide (CID 122326918) is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
The canonical SMILES for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3ccc(C)cn3)nn2)cc1.
What is the InChIKey of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
The InChIKey is SBUKJFFVIDSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-4-5-16-32-20-9-7-19(8-10-20)24(31)26-15-14-25-22-12-13-23(30-29-22)28-21-11-6-18(2)17-27-21/h6-13,17H,3-5,14-16H2,1-2H3,(H,25,29)(H,26,31)(H,27,28,30).
What are the key properties of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide?
N-[2-[[6-[(5-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-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide is sourced from PubChem (CID 122326918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).