5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide

C15H17FN6O — CID 122299236

IUPAC5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCN1CCN(c2ncc(NC(=O)c3cncc(F)c3)cn2)CC1
InChIInChI=1S/C15H17FN6O/c1-21-2-4-22(5-3-21)15-18-9-13(10-19-15)20-14(23)11-6-12(16)8-17-7-11/h6-10H,2-5H2,1H3,(H,20,23)
InChIKeyOZXDXELFEXMQOA-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.01
Rot. Bonds3

About 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide

5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide (PubChem CID 122299236) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
PubChem CID122299236
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCN1CCN(c2ncc(NC(=O)c3cncc(F)c3)cn2)CC1
InChIInChI=1S/C15H17FN6O/c1-21-2-4-22(5-3-21)15-18-9-13(10-19-15)20-14(23)11-6-12(16)8-17-7-11/h6-10H,2-5H2,1H3,(H,20,23)
InChIKeyOZXDXELFEXMQOA-UHFFFAOYSA-N
XLogP1.01
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide (CID 122299236) is 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide is CN1CCN(c2ncc(NC(=O)c3cncc(F)c3)cn2)CC1.
What is the InChIKey of 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The InChIKey is OZXDXELFEXMQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-21-2-4-22(5-3-21)15-18-9-13(10-19-15)20-14(23)11-6-12(16)8-17-7-11/h6-10H,2-5H2,1H3,(H,20,23).
What are the key properties of 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 122299236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).