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

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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).