N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline

C25H30N4O2 — CID 122184692

IUPACN-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C25H30N4O2/c1-30-24-11-6-21(7-12-24)25-13-10-23(27-28-25)3-2-14-26-22-8-4-20(5-9-22)19-29-15-17-31-18-16-29/h4-13,26H,2-3,14-19H2,1H3
InChIKeyBATJAOQOPVVCFL-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.03
Rot. Bonds9

About N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline

N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline (PubChem CID 122184692) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline
PubChem CID122184692
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C25H30N4O2/c1-30-24-11-6-21(7-12-24)25-13-10-23(27-28-25)3-2-14-26-22-8-4-20(5-9-22)19-29-15-17-31-18-16-29/h4-13,26H,2-3,14-19H2,1H3
InChIKeyBATJAOQOPVVCFL-UHFFFAOYSA-N
XLogP4.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline (CID 122184692) is N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline is COc1ccc(-c2ccc(CCCNc3ccc(CN4CCOCC4)cc3)nn2)cc1.
What is the InChIKey of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is BATJAOQOPVVCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-30-24-11-6-21(7-12-24)25-13-10-23(27-28-25)3-2-14-26-22-8-4-20(5-9-22)19-29-15-17-31-18-16-29/h4-13,26H,2-3,14-19H2,1H3.
What are the key properties of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline?
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 418.54 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 122184692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).