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

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122299077
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
4-bromo-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 122299172
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122295763

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).