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

C24H23F2N5O2 — CID 58447812

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C24H23F2N5O2/c1-16(32)30-8-10-31(11-9-30)19-3-5-23(28-15-19)29-24(33)13-17-2-4-20(21(25)12-17)18-6-7-27-22(26)14-18/h2-7,12,14-15H,8-11,13H2,1H3,(H,28,29,33)
InChIKeyDDBUMEJXAHMRCI-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.27
Rot. Bonds5

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide (PubChem CID 58447812) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
PubChem CID58447812
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)c(F)c3)nc2)CC1
InChIInChI=1S/C24H23F2N5O2/c1-16(32)30-8-10-31(11-9-30)19-3-5-23(28-15-19)29-24(33)13-17-2-4-20(21(25)12-17)18-6-7-27-22(26)14-18/h2-7,12,14-15H,8-11,13H2,1H3,(H,28,29,33)
InChIKeyDDBUMEJXAHMRCI-UHFFFAOYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide (CID 58447812) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)c(F)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide?
The InChIKey is DDBUMEJXAHMRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-16(32)30-8-10-31(11-9-30)19-3-5-23(28-15-19)29-24(33)13-17-2-4-20(21(25)12-17)18-6-7-27-22(26)14-18/h2-7,12,14-15H,8-11,13H2,1H3,(H,28,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide has a molecular weight of 451.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 58447812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).