N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C27H22F3N5O2 — CID 171683860

IUPACN-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)cc1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H22F3N5O2/c28-27(29,30)24-3-1-2-22(34-24)25(36)33-20-7-4-17(5-8-20)18-10-14-35(15-11-18)26(37)19-6-9-21-23(16-19)32-13-12-31-21/h1-9,12-13,16,18H,10-11,14-15H2,(H,33,36)
InChIKeyLJGMNWCAYHFMGO-UHFFFAOYSA-N
MW505.50 g/mol
LogP5.32
Rot. Bonds4

About N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 171683860) has the molecular formula C27H22F3N5O2 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID171683860
Molecular FormulaC27H22F3N5O2
Molecular Weight505.50 g/mol
Exact Mass505.17
IUPAC NameN-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)cc1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H22F3N5O2/c28-27(29,30)24-3-1-2-22(34-24)25(36)33-20-7-4-17(5-8-20)18-10-14-35(15-11-18)26(37)19-6-9-21-23(16-19)32-13-12-31-21/h1-9,12-13,16,18H,10-11,14-15H2,(H,33,36)
InChIKeyLJGMNWCAYHFMGO-UHFFFAOYSA-N
XLogP5.32
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,6-dimethylphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]oxamide
CID 171683936
5-bromo-2-methyl-3-nitro-N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171681316
3-(4-bromophenoxy)-N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]propanamide
CID 171685145
N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]quinoline-6-carboxamide
CID 171678356
N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 127044443
N-[4-[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]phenyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171685759
N-[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 171685190
N-cyclopropyl-N-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23641673
quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 157013388
1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
CID 171682938
N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 171683860) is N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)cc1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LJGMNWCAYHFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O2/c28-27(29,30)24-3-1-2-22(34-24)25(36)33-20-7-4-17(5-8-20)18-10-14-35(15-11-18)26(37)19-6-9-21-23(16-19)32-13-12-31-21/h1-9,12-13,16,18H,10-11,14-15H2,(H,33,36).
What are the key properties of N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171683860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).