N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine

C21H20N4 — CID 58170630

IUPACN-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
SMILESc1ccc2c(CCCc3ccc(Nc4ccnnc4)cc3)c[nH]c2c1
InChIInChI=1S/C21H20N4/c1-2-7-21-20(6-1)17(14-22-21)5-3-4-16-8-10-18(11-9-16)25-19-12-13-23-24-15-19/h1-2,6-15,22H,3-5H2,(H,23,25)
InChIKeyOOFWDCKIWIWMON-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.88
Rot. Bonds6

About N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine (PubChem CID 58170630) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
PubChem CID58170630
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
SMILESc1ccc2c(CCCc3ccc(Nc4ccnnc4)cc3)c[nH]c2c1
InChIInChI=1S/C21H20N4/c1-2-7-21-20(6-1)17(14-22-21)5-3-4-16-8-10-18(11-9-16)25-19-12-13-23-24-15-19/h1-2,6-15,22H,3-5H2,(H,23,25)
InChIKeyOOFWDCKIWIWMON-UHFFFAOYSA-N
XLogP4.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine
CID 58170679
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-(2-methoxyethoxymethyl)pyridin-4-amine
CID 58170578
[4-[4-[3-(1H-indol-3-yl)propyl]anilino]-3-pyridinyl]-phenylmethanol
CID 58170729
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine
CID 58170555
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
CID 58170747
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
CID 58170627
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
CID 58170694
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
4-[5-[3-(1H-indol-3-yl)propyl]-2,3-dihydroindol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine;3-[3-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)propyl]-1H-indole
CID 159061247

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine?
The IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine (CID 58170630) is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine.
What is the SMILES notation for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine?
The canonical SMILES for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine is c1ccc2c(CCCc3ccc(Nc4ccnnc4)cc3)c[nH]c2c1.
What is the InChIKey of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine?
The InChIKey is OOFWDCKIWIWMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-2-7-21-20(6-1)17(14-22-21)5-3-4-16-8-10-18(11-9-16)25-19-12-13-23-24-15-19/h1-2,6-15,22H,3-5H2,(H,23,25).
What are the key properties of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine?
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine is sourced from PubChem (CID 58170630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).