N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H21F5N4O2 — CID 150393412

IUPACN-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(N2CCN(Cc3ccc(F)cc3)CC2)c1)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C24H21F5N4O2/c25-16-3-1-15(2-4-16)14-32-7-9-33(10-8-32)21-11-17(5-6-20(21)26)31-23(35)18-13-30-22(34)12-19(18)24(27,28)29/h1-6,11-13H,7-10,14H2,(H,30,34)(H,31,35)
InChIKeyHCEPDBBYTWXKBM-UHFFFAOYSA-N
MW492.45 g/mol
LogP4.25
Rot. Bonds5

About N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 150393412) has the molecular formula C24H21F5N4O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID150393412
Molecular FormulaC24H21F5N4O2
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC NameN-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(N2CCN(Cc3ccc(F)cc3)CC2)c1)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C24H21F5N4O2/c25-16-3-1-15(2-4-16)14-32-7-9-33(10-8-32)21-11-17(5-6-20(21)26)31-23(35)18-13-30-22(34)12-19(18)24(27,28)29/h1-6,11-13H,7-10,14H2,(H,30,34)(H,31,35)
InChIKeyHCEPDBBYTWXKBM-UHFFFAOYSA-N
XLogP4.25
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138558089
N-[5-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138578674
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
N-[5-[3-[[4-(6-aminohexanoyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166016549
N-[5-[3-[[4-(11-aminoundecanoyl)piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166016647
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
N-[5-[5-[[(4,4-difluorocyclohexyl)amino]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137376423
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(4-fluorobenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060752
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 67359778
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850153
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 150393412) is N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(Nc1ccc(F)c(N2CCN(Cc3ccc(F)cc3)CC2)c1)c1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HCEPDBBYTWXKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O2/c25-16-3-1-15(2-4-16)14-32-7-9-33(10-8-32)21-11-17(5-6-20(21)26)31-23(35)18-13-30-22(34)12-19(18)24(27,28)29/h1-6,11-13H,7-10,14H2,(H,30,34)(H,31,35).
What are the key properties of N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 492.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 150393412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).