4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile

C24H24N4O — CID 167429626

IUPAC4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(CCN)cc2)c(Oc2cnnc(C3CCCC3)c2)c1
InChIInChI=1S/C24H24N4O/c25-12-11-17-5-8-19(9-6-17)22-10-7-18(15-26)13-24(22)29-21-14-23(28-27-16-21)20-3-1-2-4-20/h5-10,13-14,16,20H,1-4,11-12,25H2
InChIKeyDZZFUDOFGHQBMD-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.97
Rot. Bonds6

About 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile

4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile (PubChem CID 167429626) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile
PubChem CID167429626
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(CCN)cc2)c(Oc2cnnc(C3CCCC3)c2)c1
InChIInChI=1S/C24H24N4O/c25-12-11-17-5-8-19(9-6-17)22-10-7-18(15-26)13-24(22)29-21-14-23(28-27-16-21)20-3-1-2-4-20/h5-10,13-14,16,20H,1-4,11-12,25H2
InChIKeyDZZFUDOFGHQBMD-UHFFFAOYSA-N
XLogP4.97
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile?
The IUPAC name of 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile (CID 167429626) is 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile is N#Cc1ccc(-c2ccc(CCN)cc2)c(Oc2cnnc(C3CCCC3)c2)c1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile?
The InChIKey is DZZFUDOFGHQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-12-11-17-5-8-19(9-6-17)22-10-7-18(15-26)13-24(22)29-21-14-23(28-27-16-21)20-3-1-2-4-20/h5-10,13-14,16,20H,1-4,11-12,25H2.
What are the key properties of 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile?
4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile is sourced from PubChem (CID 167429626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).