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

C24H21F3N4O2 — CID 164524474

IUPAC5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)20-2-1-3-21(13-20)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)
InChIKeyYQMUQQNGCPPQFR-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.07
Rot. Bonds4

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

5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 164524474) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID164524474
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)20-2-1-3-21(13-20)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)
InChIKeyYQMUQQNGCPPQFR-UHFFFAOYSA-N
XLogP4.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 164524474) is 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1.
What is the InChIKey of 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is YQMUQQNGCPPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c25-24(26,27)20-2-1-3-21(13-20)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-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(piperazine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164524474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).