3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide

C16H16FN7O — CID 163344480

IUPAC3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCn1cnc2c(N3CCC(F)(C(=O)Nc4cccnc4)C3)ncnc21
InChIInChI=1S/C16H16FN7O/c1-23-10-21-12-13(23)19-9-20-14(12)24-6-4-16(17,8-24)15(25)22-11-3-2-5-18-7-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,22,25)
InChIKeyNLKOGQLXXIGYFX-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.32
Rot. Bonds3

About 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide

3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 163344480) has the molecular formula C16H16FN7O and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID163344480
Molecular FormulaC16H16FN7O
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCn1cnc2c(N3CCC(F)(C(=O)Nc4cccnc4)C3)ncnc21
InChIInChI=1S/C16H16FN7O/c1-23-10-21-12-13(23)19-9-20-14(12)24-6-4-16(17,8-24)15(25)22-11-3-2-5-18-7-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,22,25)
InChIKeyNLKOGQLXXIGYFX-UHFFFAOYSA-N
XLogP1.32
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-1-(9-methylpurin-6-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-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 163344047
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
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
1-methylpyrrolidine;pyridin-3-ylurea
CID 143564599
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091
N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650599
(3aS,8aR)-1-methyl-N-pyridin-3-yl-2,3,4,5,6,7,8,8a-octahydropyrrolo[2,3-d]azepine-3a-carboxamide
CID 154776384
1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 163344480) is 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide is Cn1cnc2c(N3CCC(F)(C(=O)Nc4cccnc4)C3)ncnc21.
What is the InChIKey of 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is NLKOGQLXXIGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O/c1-23-10-21-12-13(23)19-9-20-14(12)24-6-4-16(17,8-24)15(25)22-11-3-2-5-18-7-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(9-methylpurin-6-yl)-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 163344480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).