5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C24H21F3N4O3 — CID 164524559

IUPAC5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)34-21-3-1-2-20(13-21)30-22(32)19-12-18(14-29-15-19)16-4-6-17(7-5-16)23(33)31-10-8-28-9-11-31/h1-7,12-15,28H,8-11H2,(H,30,32)
InChIKeyZXHCEEVPKSOIAZ-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.94
Rot. Bonds5

About 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 164524559) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID164524559
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)34-21-3-1-2-20(13-21)30-22(32)19-12-18(14-29-15-19)16-4-6-17(7-5-16)23(33)31-10-8-28-9-11-31/h1-7,12-15,28H,8-11H2,(H,30,32)
InChIKeyZXHCEEVPKSOIAZ-UHFFFAOYSA-N
XLogP3.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 164524559) is 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1.
What is the InChIKey of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZXHCEEVPKSOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)34-21-3-1-2-20(13-21)30-22(32)19-12-18(14-29-15-19)16-4-6-17(7-5-16)23(33)31-10-8-28-9-11-31/h1-7,12-15,28H,8-11H2,(H,30,32).
What are the key properties of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164524559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).