[6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone

C26H27F3N4O — CID 123933242

IUPAC[6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2ccc(C)nc2C(=O)N2CCCCC2CCc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C26H27F3N4O/c1-17-6-5-8-23(31-17)22-14-9-18(2)32-24(22)25(34)33-15-4-3-7-21(33)13-12-20-11-10-19(16-30-20)26(27,28)29/h5-6,8-11,14,16,21H,3-4,7,12-13,15H2,1-2H3
InChIKeyNWBFXEINXQIHCL-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.80
Rot. Bonds5

About [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone

[6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (PubChem CID 123933242) has the molecular formula C26H27F3N4O and a molecular weight of 468.52 g/mol. Its IUPAC name is [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
PubChem CID123933242
Molecular FormulaC26H27F3N4O
Molecular Weight468.52 g/mol
Exact Mass468.21
IUPAC Name[6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2ccc(C)nc2C(=O)N2CCCCC2CCc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C26H27F3N4O/c1-17-6-5-8-23(31-17)22-14-9-18(2)32-24(22)25(34)33-15-4-3-7-21(33)13-12-20-11-10-19(16-30-20)26(27,28)29/h5-6,8-11,14,16,21H,3-4,7,12-13,15H2,1-2H3
InChIKeyNWBFXEINXQIHCL-UHFFFAOYSA-N
XLogP5.80
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (CID 123933242) is [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is Cc1cccc(-c2ccc(C)nc2C(=O)N2CCCCC2CCc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is NWBFXEINXQIHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O/c1-17-6-5-8-23(31-17)22-14-9-18(2)32-24(22)25(34)33-15-4-3-7-21(33)13-12-20-11-10-19(16-30-20)26(27,28)29/h5-6,8-11,14,16,21H,3-4,7,12-13,15H2,1-2H3.
What are the key properties of [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?
[6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 468.52 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(6-methyl-2-pyridinyl)-2-pyridinyl]-[2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123933242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).