[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone

C17H18F3N3O — CID 2809755

IUPAC[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C17H18F3N3O/c1-12-14(4-5-15(21-12)17(18,19)20)16(24)23-10-6-13(7-11-23)22-8-2-3-9-22/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyZNUROBIVTKYMNT-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.69
Rot. Bonds2

About [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone

[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone (PubChem CID 2809755) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone
PubChem CID2809755
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C17H18F3N3O/c1-12-14(4-5-15(21-12)17(18,19)20)16(24)23-10-6-13(7-11-23)22-8-2-3-9-22/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyZNUROBIVTKYMNT-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone (CID 2809755) is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(n2cccc2)CC1.
What is the InChIKey of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The InChIKey is ZNUROBIVTKYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-12-14(4-5-15(21-12)17(18,19)20)16(24)23-10-6-13(7-11-23)22-8-2-3-9-22/h2-5,8-9,13H,6-7,10-11H2,1H3.
What are the key properties of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone has a molecular weight of 337.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 2809755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).