3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide

C12H17FN4O — CID 167179068

IUPAC3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCNC[C@H]2C)cc1F
InChIInChI=1S/C12H17FN4O/c1-8-6-15-3-4-17(8)9-5-10(13)11(16-7-9)12(18)14-2/h5,7-8,15H,3-4,6H2,1-2H3,(H,14,18)/t8-/m1/s1
InChIKeyLBKDXWIXZLDWJE-MRVPVSSYSA-N
MW252.29 g/mol
LogP0.38
Rot. Bonds2

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

3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide (PubChem CID 167179068) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
PubChem CID167179068
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCNC[C@H]2C)cc1F
InChIInChI=1S/C12H17FN4O/c1-8-6-15-3-4-17(8)9-5-10(13)11(16-7-9)12(18)14-2/h5,7-8,15H,3-4,6H2,1-2H3,(H,14,18)/t8-/m1/s1
InChIKeyLBKDXWIXZLDWJE-MRVPVSSYSA-N
XLogP0.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide (CID 167179068) is 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ncc(N2CCNC[C@H]2C)cc1F.
What is the InChIKey of 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is LBKDXWIXZLDWJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-8-6-15-3-4-17(8)9-5-10(13)11(16-7-9)12(18)14-2/h5,7-8,15H,3-4,6H2,1-2H3,(H,14,18)/t8-/m1/s1.
What are the key properties of 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167179068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).