(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

C18H21F3N4O2 — CID 46181747

IUPAC(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H21F3N4O2/c1-12-2-3-16(22-9-12)24-17(26)14(8-13-4-6-27-7-5-13)25-10-15(23-11-25)18(19,20)21/h2-3,9-11,13-14H,4-8H2,1H3,(H,22,24,26)/t14-/m0/s1
InChIKeyLUNLRXGJEZJTQV-AWEZNQCLSA-N
MW382.39 g/mol
LogP3.60
Rot. Bonds5

About (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 46181747) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID46181747
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(C(F)(F)F)c2)nc1
InChIInChI=1S/C18H21F3N4O2/c1-12-2-3-16(22-9-12)24-17(26)14(8-13-4-6-27-7-5-13)25-10-15(23-11-25)18(19,20)21/h2-3,9-11,13-14H,4-8H2,1H3,(H,22,24,26)/t14-/m0/s1
InChIKeyLUNLRXGJEZJTQV-AWEZNQCLSA-N
XLogP3.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide
CID 46864692
6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]-2-methylpyridine-3-carboxylic acid
CID 71080363
N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 75164856
3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 67314173
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44628875
methyl 3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 67130816
N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
CID 135232757
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide
CID 67312986
(2S)-3-cyclopentyl-N-[5-(hydroxymethyl)-2-pyridinyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44629218
4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
CID 58284077
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 46181747) is (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is Cc1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(C(F)(F)F)c2)nc1.
What is the InChIKey of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is LUNLRXGJEZJTQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-12-2-3-16(22-9-12)24-17(26)14(8-13-4-6-27-7-5-13)25-10-15(23-11-25)18(19,20)21/h2-3,9-11,13-14H,4-8H2,1H3,(H,22,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 382.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 46181747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).