(2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide

C19H20F3N5O — CID 134229265

IUPAC(2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide
SMILESCC1CC(NC(=O)[C@H](N)C(F)(F)F)CC(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C19H20F3N5O/c1-10-6-12(8-13(7-10)27-18(28)17(24)19(20,21)22)14-3-2-11(9-23)15-16(14)26-5-4-25-15/h2-5,10,12-13,17H,6-8,24H2,1H3,(H,27,28)/t10?,12?,13?,17-/m0/s1
InChIKeyGVQJDEZDBBWXFN-CKQAVHPDSA-N
MW391.40 g/mol
LogP2.78
Rot. Bonds3

About (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide

(2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide (PubChem CID 134229265) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide
PubChem CID134229265
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name(2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide
SMILESCC1CC(NC(=O)[C@H](N)C(F)(F)F)CC(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C19H20F3N5O/c1-10-6-12(8-13(7-10)27-18(28)17(24)19(20,21)22)14-3-2-11(9-23)15-16(14)26-5-4-25-15/h2-5,10,12-13,17H,6-8,24H2,1H3,(H,27,28)/t10?,12?,13?,17-/m0/s1
InChIKeyGVQJDEZDBBWXFN-CKQAVHPDSA-N
XLogP2.78
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide (CID 134229265) is (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide is CC1CC(NC(=O)[C@H](N)C(F)(F)F)CC(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide?
The InChIKey is GVQJDEZDBBWXFN-CKQAVHPDSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10-6-12(8-13(7-10)27-18(28)17(24)19(20,21)22)14-3-2-11(9-23)15-16(14)26-5-4-25-15/h2-5,10,12-13,17H,6-8,24H2,1H3,(H,27,28)/t10?,12?,13?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide?
(2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide has a molecular weight of 391.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 134229265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).