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

C26H28FN5O2 — CID 46871751

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cc(C)c(-c4ccnc(C)c4)cc3F)nc2)CC1
InChIInChI=1S/C26H28FN5O2/c1-17-12-21(24(27)15-23(17)20-6-7-28-18(2)13-20)14-26(34)30-25-5-4-22(16-29-25)32-10-8-31(9-11-32)19(3)33/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,29,30,34)
InChIKeyNORZTPPZZGDQHU-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.75
Rot. Bonds5

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46871751) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46871751
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cc(C)c(-c4ccnc(C)c4)cc3F)nc2)CC1
InChIInChI=1S/C26H28FN5O2/c1-17-12-21(24(27)15-23(17)20-6-7-28-18(2)13-20)14-26(34)30-25-5-4-22(16-29-25)32-10-8-31(9-11-32)19(3)33/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,29,30,34)
InChIKeyNORZTPPZZGDQHU-UHFFFAOYSA-N
XLogP3.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46871751) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cc(C)c(-c4ccnc(C)c4)cc3F)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is NORZTPPZZGDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-17-12-21(24(27)15-23(17)20-6-7-28-18(2)13-20)14-26(34)30-25-5-4-22(16-29-25)32-10-8-31(9-11-32)19(3)33/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,29,30,34).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 3.75, 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-[2-fluoro-5-methyl-4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46871751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).