N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

C23H17F3N4O — CID 147223131

IUPACN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESC[C@H](NC(=O)c1cnc2c(-c3ccc(C(F)(F)F)cc3)cccc2n1)c1ccccn1
InChIInChI=1S/C23H17F3N4O/c1-14(18-6-2-3-12-27-18)29-22(31)20-13-28-21-17(5-4-7-19(21)30-20)15-8-10-16(11-9-15)23(24,25)26/h2-14H,1H3,(H,29,31)/t14-/m0/s1
InChIKeyCHLSMLXKKBOXTD-AWEZNQCLSA-N
MW422.41 g/mol
LogP5.20
Rot. Bonds4

About N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 147223131) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
PubChem CID147223131
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESC[C@H](NC(=O)c1cnc2c(-c3ccc(C(F)(F)F)cc3)cccc2n1)c1ccccn1
InChIInChI=1S/C23H17F3N4O/c1-14(18-6-2-3-12-27-18)29-22(31)20-13-28-21-17(5-4-7-19(21)30-20)15-8-10-16(11-9-15)23(24,25)26/h2-14H,1H3,(H,29,31)/t14-/m0/s1
InChIKeyCHLSMLXKKBOXTD-AWEZNQCLSA-N
XLogP5.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159865
ethanesulfonic acid;N-(1-pyridin-2-ylethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10283066
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
6-methoxy-N-(1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213963
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]isoquinoline-6-carboxamide
CID 166552466
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
2-(4-quinoxalin-5-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610263
5-(ethylamino)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 107374502
N-[(1S)-1-pyridin-2-ylethyl]-8-[(4R)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170288189

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (CID 147223131) is N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is C[C@H](NC(=O)c1cnc2c(-c3ccc(C(F)(F)F)cc3)cccc2n1)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is CHLSMLXKKBOXTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-14(18-6-2-3-12-27-18)29-22(31)20-13-28-21-17(5-4-7-19(21)30-20)15-8-10-16(11-9-15)23(24,25)26/h2-14H,1H3,(H,29,31)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 147223131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).