N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C20H19F3N4O2 — CID 97081922

IUPACN-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)Cc1cnc[nH]1)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)12-29-18-8-4-7-17(27-18)19(28)26-15(10-16-11-24-13-25-16)9-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,24,25)(H,26,28)/t15-/m0/s1
InChIKeyNGEPGICWHZZWRW-HNNXBMFYSA-N
MW404.39 g/mol
LogP3.33
Rot. Bonds8

About N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 97081922) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID97081922
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)Cc1cnc[nH]1)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)12-29-18-8-4-7-17(27-18)19(28)26-15(10-16-11-24-13-25-16)9-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,24,25)(H,26,28)/t15-/m0/s1
InChIKeyNGEPGICWHZZWRW-HNNXBMFYSA-N
XLogP3.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 97215424
N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 97066340
2-methyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120525800
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
benzyl (2S)-3-(1H-imidazol-5-yl)-2-(isoquinoline-3-carbonylamino)propanoate
CID 53230949
5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
CID 120547139
N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide
CID 141237377
(2S)-2-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 68835809
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 164773846
benzyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 7015073
2-amino-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 19882267
(2R)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 22798985

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 97081922) is N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)Cc1cnc[nH]1)c1cccc(OCC(F)(F)F)n1.
What is the InChIKey of N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is NGEPGICWHZZWRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)12-29-18-8-4-7-17(27-18)19(28)26-15(10-16-11-24-13-25-16)9-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,24,25)(H,26,28)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 97081922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).