4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one

C14H21FN4O — CID 106197832

IUPAC4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCC(C)(C)NCc1ccnc(NC2CNC(=O)C2)c1F
InChIInChI=1S/C14H21FN4O/c1-14(2,3)18-7-9-4-5-16-13(12(9)15)19-10-6-11(20)17-8-10/h4-5,10,18H,6-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyXSSBTFWQEWVEIS-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds4

About 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one

4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 106197832) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID106197832
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCC(C)(C)NCc1ccnc(NC2CNC(=O)C2)c1F
InChIInChI=1S/C14H21FN4O/c1-14(2,3)18-7-9-4-5-16-13(12(9)15)19-10-6-11(20)17-8-10/h4-5,10,18H,6-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyXSSBTFWQEWVEIS-UHFFFAOYSA-N
XLogP1.41
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one (CID 106197832) is 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one is CC(C)(C)NCc1ccnc(NC2CNC(=O)C2)c1F.
What is the InChIKey of 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is XSSBTFWQEWVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-14(2,3)18-7-9-4-5-16-13(12(9)15)19-10-6-11(20)17-8-10/h4-5,10,18H,6-8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one?
4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106197832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).