(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide

C23H24F3N3O2 — CID 118507128

IUPAC(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](C)[C@@H](C)c1ccc2ccccc2n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C23H24F3N3O2/c1-14(19-10-8-17-6-4-5-7-21(17)29-19)15(2)22(30)28-16(3)20-11-9-18(12-27-20)31-13-23(24,25)26/h4-12,14-16H,13H2,1-3H3,(H,28,30)/t14-,15-,16-/m1/s1
InChIKeyFBIJROAUGVDAMY-BZUAXINKSA-N
MW431.46 g/mol
LogP5.19
Rot. Bonds7

About (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide

(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide (PubChem CID 118507128) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
PubChem CID118507128
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](C)[C@@H](C)c1ccc2ccccc2n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C23H24F3N3O2/c1-14(19-10-8-17-6-4-5-7-21(17)29-19)15(2)22(30)28-16(3)20-11-9-18(12-27-20)31-13-23(24,25)26/h4-12,14-16H,13H2,1-3H3,(H,28,30)/t14-,15-,16-/m1/s1
InChIKeyFBIJROAUGVDAMY-BZUAXINKSA-N
XLogP5.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-2-enamide
CID 67291373
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 87342561
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
[1-oxo-1-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]carbamic acid
CID 87457661
[1-oxo-1-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethylamino]-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]carbamic acid
CID 90709764
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The IUPAC name of (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide (CID 118507128) is (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide.
What is the SMILES notation for (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The canonical SMILES for (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide is C[C@@H](NC(=O)[C@H](C)[C@@H](C)c1ccc2ccccc2n1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The InChIKey is FBIJROAUGVDAMY-BZUAXINKSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-14(19-10-8-17-6-4-5-7-21(17)29-19)15(2)22(30)28-16(3)20-11-9-18(12-27-20)31-13-23(24,25)26/h4-12,14-16H,13H2,1-3H3,(H,28,30)/t14-,15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide has a molecular weight of 431.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide is sourced from PubChem (CID 118507128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).