4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine

C22H30ClN3 — CID 5351244

IUPAC4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+
InChIKeyFIDFDSHBKIWNIN-JLHYYAGUSA-N
MW371.96 g/mol
LogP5.83
Rot. Bonds10

About 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 5351244) has the molecular formula C22H30ClN3 and a molecular weight of 371.96 g/mol. Its IUPAC name is 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID5351244
Molecular FormulaC22H30ClN3
Molecular Weight371.96 g/mol
Exact Mass371.21
IUPAC Name4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+
InChIKeyFIDFDSHBKIWNIN-JLHYYAGUSA-N
XLogP5.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.96
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine (CID 5351244) is 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is FIDFDSHBKIWNIN-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+.
What are the key properties of 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 371.96 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-pyridinyl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 5351244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).