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

C18H18F3N3O2 — CID 146934406

IUPAC1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CO
InChIInChI=1S/C18H18F3N3O2/c1-11-7-15(18(19,20)21)23-17(14(11)10-25)12-4-5-13(22-8-12)9-24-6-2-3-16(24)26/h4-5,7-8,25H,2-3,6,9-10H2,1H3
InChIKeyAFQFRLVDBNZPSC-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.09
Rot. Bonds4

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

1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 146934406) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID146934406
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CO
InChIInChI=1S/C18H18F3N3O2/c1-11-7-15(18(19,20)21)23-17(14(11)10-25)12-4-5-13(22-8-12)9-24-6-2-3-16(24)26/h4-5,7-8,25H,2-3,6,9-10H2,1H3
InChIKeyAFQFRLVDBNZPSC-UHFFFAOYSA-N
XLogP3.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one (CID 146934406) is 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)nc2)c1CO.
What is the InChIKey of 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is AFQFRLVDBNZPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-7-15(18(19,20)21)23-17(14(11)10-25)12-4-5-13(22-8-12)9-24-6-2-3-16(24)26/h4-5,7-8,25H,2-3,6,9-10H2,1H3.
What are the key properties of 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one?
1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 365.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146934406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).