(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C22H25F3N2O3 — CID 166025599

IUPAC(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCO[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1ccc(O)cc1
InChIInChI=1S/C22H25F3N2O3/c1-30-18(11-15-4-6-17(28)7-5-15)14-27-20(29)12-19(16-3-2-10-26-13-16)21(8-9-21)22(23,24)25/h2-7,10,13,18-19,28H,8-9,11-12,14H2,1H3,(H,27,29)/t18-,19+/m0/s1
InChIKeyDFCYNXPPEFXNGZ-RBUKOAKNSA-N
MW422.45 g/mol
LogP3.98
Rot. Bonds9

About (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 166025599) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID166025599
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCO[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1ccc(O)cc1
InChIInChI=1S/C22H25F3N2O3/c1-30-18(11-15-4-6-17(28)7-5-15)14-27-20(29)12-19(16-3-2-10-26-13-16)21(8-9-21)22(23,24)25/h2-7,10,13,18-19,28H,8-9,11-12,14H2,1H3,(H,27,29)/t18-,19+/m0/s1
InChIKeyDFCYNXPPEFXNGZ-RBUKOAKNSA-N
XLogP3.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-3-amino-2-(dimethylamino)propyl]phenol;N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 167573804
(3R)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025374
N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526169
(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
CID 165404885
N-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526140
N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526116
(3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025285
(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025636
(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide
CID 167623988
(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
CID 167594360
(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
CID 167562783
4-[[(1S)-1-(dimethylamino)-2-[[(3R)-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]ethyl]sulfanylmethyl]-2-fluoro-N,3-dimethylbenzamide
CID 165405204

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 166025599) is (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is CO[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1ccc(O)cc1.
What is the InChIKey of (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is DFCYNXPPEFXNGZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-30-18(11-15-4-6-17(28)7-5-15)14-27-20(29)12-19(16-3-2-10-26-13-16)21(8-9-21)22(23,24)25/h2-7,10,13,18-19,28H,8-9,11-12,14H2,1H3,(H,27,29)/t18-,19+/m0/s1.
What are the key properties of (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 422.45 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 166025599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).