1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one

C15H19ClFN3O — CID 154846447

IUPAC1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCC(Nc2c(F)cncc2Cl)C1
InChIInChI=1S/C15H19ClFN3O/c16-12-8-18-9-13(17)15(12)19-10-3-1-4-11(7-10)20-6-2-5-14(20)21/h8-11H,1-7H2,(H,18,19)
InChIKeyUOMFRQNMVOQGQE-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.22
Rot. Bonds3

About 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one

1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one (PubChem CID 154846447) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one
PubChem CID154846447
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCC(Nc2c(F)cncc2Cl)C1
InChIInChI=1S/C15H19ClFN3O/c16-12-8-18-9-13(17)15(12)19-10-3-1-4-11(7-10)20-6-2-5-14(20)21/h8-11H,1-7H2,(H,18,19)
InChIKeyUOMFRQNMVOQGQE-UHFFFAOYSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one (CID 154846447) is 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one is O=C1CCCN1C1CCCC(Nc2c(F)cncc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one?
The InChIKey is UOMFRQNMVOQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c16-12-8-18-9-13(17)15(12)19-10-3-1-4-11(7-10)20-6-2-5-14(20)21/h8-11H,1-7H2,(H,18,19).
What are the key properties of 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one?
1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one has a molecular weight of 311.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-5-fluoro-4-pyridinyl)amino]cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 154846447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).