3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide

C17H19F2N5O — CID 163344047

IUPAC3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)c1ncnc(N2CCC(F)(C(=O)Nc3cccnc3)C2)c1F
InChIInChI=1S/C17H19F2N5O/c1-11(2)14-13(18)15(22-10-21-14)24-7-5-17(19,9-24)16(25)23-12-4-3-6-20-8-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,23,25)
InChIKeyLGGWLVSCDJJKFA-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.69
Rot. Bonds4

About 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide

3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 163344047) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID163344047
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)c1ncnc(N2CCC(F)(C(=O)Nc3cccnc3)C2)c1F
InChIInChI=1S/C17H19F2N5O/c1-11(2)14-13(18)15(22-10-21-14)24-7-5-17(19,9-24)16(25)23-12-4-3-6-20-8-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,23,25)
InChIKeyLGGWLVSCDJJKFA-UHFFFAOYSA-N
XLogP2.69
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 163344480
3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
CID 163344503
3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171337792
1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
1-[(E)-N'-hydroxycarbamimidoyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 80590918
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11112014
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
4-(4-fluorophenyl)-N-[1-oxo-1-(pyridin-3-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 53370495
N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
CID 171337700
(1R,2S,4R)-2-bromo-4,7,7-trimethyl-3-oxo-N-pyridin-3-ylbicyclo[2.2.1]heptane-1-carboxamide
CID 98152147

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 163344047) is 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide is CC(C)c1ncnc(N2CCC(F)(C(=O)Nc3cccnc3)C2)c1F.
What is the InChIKey of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LGGWLVSCDJJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-11(2)14-13(18)15(22-10-21-14)24-7-5-17(19,9-24)16(25)23-12-4-3-6-20-8-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,23,25).
What are the key properties of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 163344047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).