2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide

C21H21FN6O — CID 113014545

IUPAC2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C21H21FN6O/c22-17-4-2-16(3-5-17)14-20(29)26-18-6-7-19(25-15-18)27-10-12-28(13-11-27)21-23-8-1-9-24-21/h1-9,15H,10-14H2,(H,26,29)
InChIKeyRGUQPYZWGHHJJT-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.52
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 113014545) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID113014545
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C21H21FN6O/c22-17-4-2-16(3-5-17)14-20(29)26-18-6-7-19(25-15-18)27-10-12-28(13-11-27)21-23-8-1-9-24-21/h1-9,15H,10-14H2,(H,26,29)
InChIKeyRGUQPYZWGHHJJT-UHFFFAOYSA-N
XLogP2.52
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014066
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
2-(4-nitrophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 34080362
1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300084

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 113014545) is 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is RGUQPYZWGHHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-17-4-2-16(3-5-17)14-20(29)26-18-6-7-19(25-15-18)27-10-12-28(13-11-27)21-23-8-1-9-24-21/h1-9,15H,10-14H2,(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 113014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).