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

C19H23FN4O — CID 164930535

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C19H23FN4O/c1-23-9-11-24(12-10-23)18(16-3-2-8-21-14-16)19(25)22-13-15-4-6-17(20)7-5-15/h2-8,14,18H,9-13H2,1H3,(H,22,25)
InChIKeyHKZZSJZVBBNXFA-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.83
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (PubChem CID 164930535) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
PubChem CID164930535
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C19H23FN4O/c1-23-9-11-24(12-10-23)18(16-3-2-8-21-14-16)19(25)22-13-15-4-6-17(20)7-5-15/h2-8,14,18H,9-13H2,1H3,(H,22,25)
InChIKeyHKZZSJZVBBNXFA-UHFFFAOYSA-N
XLogP1.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (CID 164930535) is N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is CN1CCN(C(C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The InChIKey is HKZZSJZVBBNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23-9-11-24(12-10-23)18(16-3-2-8-21-14-16)19(25)22-13-15-4-6-17(20)7-5-15/h2-8,14,18H,9-13H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide has a molecular weight of 342.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 164930535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).