2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide

C22H22F3N5O — CID 55708584

IUPAC2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2nc1C
InChIInChI=1S/C22H22F3N5O/c1-13-14(2)28-19-11-15(3-5-18(19)27-13)21(31)29-17-7-9-30(10-8-17)20-6-4-16(12-26-20)22(23,24)25/h3-6,11-12,17H,7-10H2,1-2H3,(H,29,31)
InChIKeyWNZYKUBGHIYZIT-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.06
Rot. Bonds3

About 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide (PubChem CID 55708584) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
PubChem CID55708584
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2nc1C
InChIInChI=1S/C22H22F3N5O/c1-13-14(2)28-19-11-15(3-5-18(19)27-13)21(31)29-17-7-9-30(10-8-17)20-6-4-16(12-26-20)22(23,24)25/h3-6,11-12,17H,7-10H2,1-2H3,(H,29,31)
InChIKeyWNZYKUBGHIYZIT-UHFFFAOYSA-N
XLogP4.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
3-methoxy-4-phenylmethoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708637
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide (CID 55708584) is 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide?
The InChIKey is WNZYKUBGHIYZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-13-14(2)28-19-11-15(3-5-18(19)27-13)21(31)29-17-7-9-30(10-8-17)20-6-4-16(12-26-20)22(23,24)25/h3-6,11-12,17H,7-10H2,1-2H3,(H,29,31).
What are the key properties of 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 55708584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).