N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide

C23H23FN6O2 — CID 46927366

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)nc3)nc2)CC1
InChIInChI=1S/C23H23FN6O2/c1-16(31)29-8-10-30(11-9-29)19-3-5-22(27-15-19)28-23(32)12-17-2-4-20(26-14-17)18-6-7-25-21(24)13-18/h2-7,13-15H,8-12H2,1H3,(H,27,28,32)
InChIKeyMECUKCKHAICYFE-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.53
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927366) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927366
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)nc3)nc2)CC1
InChIInChI=1S/C23H23FN6O2/c1-16(31)29-8-10-30(11-9-29)19-3-5-22(27-15-19)28-23(32)12-17-2-4-20(26-14-17)18-6-7-25-21(24)13-18/h2-7,13-15H,8-12H2,1H3,(H,27,28,32)
InChIKeyMECUKCKHAICYFE-UHFFFAOYSA-N
XLogP2.53
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927366) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)nc3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is MECUKCKHAICYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-16(31)29-8-10-30(11-9-29)19-3-5-22(27-15-19)28-23(32)12-17-2-4-20(26-14-17)18-6-7-25-21(24)13-18/h2-7,13-15H,8-12H2,1H3,(H,27,28,32).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 434.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).