N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

C20H25FN4O — CID 155583009

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H25FN4O/c1-24-11-13-25(14-12-24)19(17-3-2-9-22-15-17)20(26)23-10-8-16-4-6-18(21)7-5-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,23,26)
InChIKeyYGDPGKMYHVOLPF-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (PubChem CID 155583009) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
PubChem CID155583009
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H25FN4O/c1-24-11-13-25(14-12-24)19(17-3-2-9-22-15-17)20(26)23-10-8-16-4-6-18(21)7-5-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,23,26)
InChIKeyYGDPGKMYHVOLPF-UHFFFAOYSA-N
XLogP1.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (CID 155583009) is N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is CN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2cccnc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The InChIKey is YGDPGKMYHVOLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-24-11-13-25(14-12-24)19(17-3-2-9-22-15-17)20(26)23-10-8-16-4-6-18(21)7-5-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide has a molecular weight of 356.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 155583009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).