(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide

C20H22F3N3O2 — CID 44628875

IUPAC(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cccc(C(F)(F)F)c2=O)nc1
InChIInChI=1S/C20H22F3N3O2/c1-13-8-9-17(24-12-13)25-18(27)16(11-14-5-2-3-6-14)26-10-4-7-15(19(26)28)20(21,22)23/h4,7-10,12,14,16H,2-3,5-6,11H2,1H3,(H,24,25,27)/t16-/m0/s1
InChIKeyZGLDXRNSCAJGAH-INIZCTEOSA-N
MW393.41 g/mol
LogP4.33
Rot. Bonds5

About (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide

(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 44628875) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID44628875
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cccc(C(F)(F)F)c2=O)nc1
InChIInChI=1S/C20H22F3N3O2/c1-13-8-9-17(24-12-13)25-18(27)16(11-14-5-2-3-6-14)26-10-4-7-15(19(26)28)20(21,22)23/h4,7-10,12,14,16H,2-3,5-6,11H2,1H3,(H,24,25,27)/t16-/m0/s1
InChIKeyZGLDXRNSCAJGAH-INIZCTEOSA-N
XLogP4.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide (CID 44628875) is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cccc(C(F)(F)F)c2=O)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is ZGLDXRNSCAJGAH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-13-8-9-17(24-12-13)25-18(27)16(11-14-5-2-3-6-14)26-10-4-7-15(19(26)28)20(21,22)23/h4,7-10,12,14,16H,2-3,5-6,11H2,1H3,(H,24,25,27)/t16-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 393.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 44628875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).