[3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C19H20ClF3N4O2 — CID 118111746

IUPAC[3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCCC(OC)(c3ncc(Cl)cc3C(F)(F)F)C2)ccn1
InChIInChI=1S/C19H20ClF3N4O2/c1-24-15-8-12(4-6-25-15)17(28)27-7-3-5-18(11-27,29-2)16-14(19(21,22)23)9-13(20)10-26-16/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,24,25)
InChIKeyMUJFPASGLJGOHH-UHFFFAOYSA-N
MW428.84 g/mol
LogP3.97
Rot. Bonds4

About [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 118111746) has the molecular formula C19H20ClF3N4O2 and a molecular weight of 428.84 g/mol. Its IUPAC name is [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID118111746
Molecular FormulaC19H20ClF3N4O2
Molecular Weight428.84 g/mol
Exact Mass428.12
IUPAC Name[3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCCC(OC)(c3ncc(Cl)cc3C(F)(F)F)C2)ccn1
InChIInChI=1S/C19H20ClF3N4O2/c1-24-15-8-12(4-6-25-15)17(28)27-7-3-5-18(11-27,29-2)16-14(19(21,22)23)9-13(20)10-26-16/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,24,25)
InChIKeyMUJFPASGLJGOHH-UHFFFAOYSA-N
XLogP3.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 118111746) is [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCCC(OC)(c3ncc(Cl)cc3C(F)(F)F)C2)ccn1.
What is the InChIKey of [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is MUJFPASGLJGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O2/c1-24-15-8-12(4-6-25-15)17(28)27-7-3-5-18(11-27,29-2)16-14(19(21,22)23)9-13(20)10-26-16/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,24,25).
What are the key properties of [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 428.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3-methoxypiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 118111746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).