1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one

C18H17F4N3O — CID 151000809

IUPAC1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CF
InChIInChI=1S/C18H17F4N3O/c1-11-7-15(18(20,21)22)24-17(14(11)8-19)12-4-5-13(23-9-12)10-25-6-2-3-16(25)26/h4-5,7,9H,2-3,6,8,10H2,1H3
InChIKeyLUBDRPCYNZDATI-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.06
Rot. Bonds4

About 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one

1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 151000809) has the molecular formula C18H17F4N3O and a molecular weight of 367.35 g/mol. Its IUPAC name is 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID151000809
Molecular FormulaC18H17F4N3O
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CF
InChIInChI=1S/C18H17F4N3O/c1-11-7-15(18(20,21)22)24-17(14(11)8-19)12-4-5-13(23-9-12)10-25-6-2-3-16(25)26/h4-5,7,9H,2-3,6,8,10H2,1H3
InChIKeyLUBDRPCYNZDATI-UHFFFAOYSA-N
XLogP4.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (CID 151000809) is 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CF.
What is the InChIKey of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is LUBDRPCYNZDATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O/c1-11-7-15(18(20,21)22)24-17(14(11)8-19)12-4-5-13(23-9-12)10-25-6-2-3-16(25)26/h4-5,7,9H,2-3,6,8,10H2,1H3.
What are the key properties of 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 367.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 151000809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).