N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline

C26H29FN4 — CID 143600563

IUPACN-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline
SMILESC=C(c1ccc(-c2ccc(F)cc2)nc1C)N(C)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C26H29FN4/c1-19-25(12-13-26(29-19)22-6-8-23(27)9-7-22)20(2)30(3)24-10-4-21(5-11-24)18-31-16-14-28-15-17-31/h4-13,28H,2,14-18H2,1,3H3
InChIKeyIAMWGCQXSDWNQC-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.71
Rot. Bonds6

About N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline

N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline (PubChem CID 143600563) has the molecular formula C26H29FN4 and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline
PubChem CID143600563
Molecular FormulaC26H29FN4
Molecular Weight416.54 g/mol
Exact Mass416.24
IUPAC NameN-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline
SMILESC=C(c1ccc(-c2ccc(F)cc2)nc1C)N(C)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C26H29FN4/c1-19-25(12-13-26(29-19)22-6-8-23(27)9-7-22)20(2)30(3)24-10-4-21(5-11-24)18-31-16-14-28-15-17-31/h4-13,28H,2,14-18H2,1,3H3
InChIKeyIAMWGCQXSDWNQC-UHFFFAOYSA-N
XLogP4.71
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline?
The IUPAC name of N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline (CID 143600563) is N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline is C=C(c1ccc(-c2ccc(F)cc2)nc1C)N(C)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline?
The InChIKey is IAMWGCQXSDWNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4/c1-19-25(12-13-26(29-19)22-6-8-23(27)9-7-22)20(2)30(3)24-10-4-21(5-11-24)18-31-16-14-28-15-17-31/h4-13,28H,2,14-18H2,1,3H3.
What are the key properties of N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline?
N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline has a molecular weight of 416.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]ethenyl]-N-methyl-4-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 143600563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).