[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H16F3N3O — CID 104641627

IUPAC[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)nc1
InChIInChI=1S/C13H16F3N3O/c1-17-10-4-5-11(18-7-10)12(20)19-6-2-3-9(8-19)13(14,15)16/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyMCXBMSFRDMZFEK-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.54
Rot. Bonds2

About [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 104641627) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID104641627
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)nc1
InChIInChI=1S/C13H16F3N3O/c1-17-10-4-5-11(18-7-10)12(20)19-6-2-3-9(8-19)13(14,15)16/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyMCXBMSFRDMZFEK-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641595
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641352
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 104641627) is [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is CNc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)nc1.
What is the InChIKey of [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is MCXBMSFRDMZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-17-10-4-5-11(18-7-10)12(20)19-6-2-3-9(8-19)13(14,15)16/h4-5,7,9,17H,2-3,6,8H2,1H3.
What are the key properties of [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 287.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 104641627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).