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

C24H25FN6O2 — CID 46927296

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

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927296) 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-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927296
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C24H25FN6O2/c1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33)
InChIKeyRBLYPWNZMHDDJD-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927296) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is RBLYPWNZMHDDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-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-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).