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

C23H22F2N6O2 — CID 46927363

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C23H22F2N6O2/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33)
InChIKeyDLTJJEGBGUJJAK-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.67
Rot. Bonds5

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927363) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927363
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C23H22F2N6O2/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33)
InChIKeyDLTJJEGBGUJJAK-UHFFFAOYSA-N
XLogP2.67
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.67
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-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927363) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is DLTJJEGBGUJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 2.67, 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-fluoro-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).