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

C24H25FN6O2 — CID 46927297

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(C)c3)nc2)CC1
InChIInChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)
InChIKeyAXXNRMISICMFNS-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.84
Rot. Bonds5

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide (PubChem CID 46927297) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide
PubChem CID46927297
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(C)c3)nc2)CC1
InChIInChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)
InChIKeyAXXNRMISICMFNS-UHFFFAOYSA-N
XLogP2.84
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide (CID 46927297) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(C)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide?
The InChIKey is AXXNRMISICMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 2.84, 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)-5-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 46927297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).