trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H27F3N2O2 — CID 67290425

IUPACtrans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1)c1ccc(OCC2(C)CC2)cn1
InChIInChI=1S/C24H27F3N2O2/c1-15(20-9-8-18(13-28-20)31-14-22(2)10-11-22)29-21(30)19-12-23(19,3)16-4-6-17(7-5-16)24(25,26)27/h4-9,13,15,19H,10-12,14H2,1-3H3,(H,29,30)/t15-,19-,23-/m1/s1
InChIKeyZWFUTCXBKNFHSM-NFHUAXAMSA-N
MW432.49 g/mol
LogP5.43
Rot. Bonds7

About trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 67290425) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID67290425
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Nametrans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1)c1ccc(OCC2(C)CC2)cn1
InChIInChI=1S/C24H27F3N2O2/c1-15(20-9-8-18(13-28-20)31-14-22(2)10-11-22)29-21(30)19-12-23(19,3)16-4-6-17(7-5-16)24(25,26)27/h4-9,13,15,19H,10-12,14H2,1-3H3,(H,29,30)/t15-,19-,23-/m1/s1
InChIKeyZWFUTCXBKNFHSM-NFHUAXAMSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 67289804
trans-(1S,2S)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 66555470
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine
CID 67289682
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 11855167
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 67290425) is trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)[C@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1)c1ccc(OCC2(C)CC2)cn1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZWFUTCXBKNFHSM-NFHUAXAMSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-15(20-9-8-18(13-28-20)31-14-22(2)10-11-22)29-21(30)19-12-23(19,3)16-4-6-17(7-5-16)24(25,26)27/h4-9,13,15,19H,10-12,14H2,1-3H3,(H,29,30)/t15-,19-,23-/m1/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67290425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).