ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

C13H21FN4O — CID 168900115

IUPACethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCC.CNC(=O)c1ccc(N2CCNCC2)c(F)n1
InChIInChI=1S/C11H15FN4O.C2H6/c1-13-11(17)8-2-3-9(10(12)15-8)16-6-4-14-5-7-16;1-2/h2-3,14H,4-7H2,1H3,(H,13,17);1-2H3
InChIKeyNUBRUFIXMLCJPE-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.02
Rot. Bonds2

About ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 168900115) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID168900115
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Nameethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCC.CNC(=O)c1ccc(N2CCNCC2)c(F)n1
InChIInChI=1S/C11H15FN4O.C2H6/c1-13-11(17)8-2-3-9(10(12)15-8)16-6-4-14-5-7-16;1-2/h2-3,14H,4-7H2,1H3,(H,13,17);1-2H3
InChIKeyNUBRUFIXMLCJPE-UHFFFAOYSA-N
XLogP1.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 168957491
6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 166021778
N-chloro-6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 176885546
6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171559656
tert-butyl (2S)-4-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 177274377
5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 170048475
N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 82044208
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704
6-chloro-N-(3,3-difluoroazetidin-1-yl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 178131806
N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 172768945

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 168900115) is ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is CC.CNC(=O)c1ccc(N2CCNCC2)c(F)n1.
What is the InChIKey of ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is NUBRUFIXMLCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O.C2H6/c1-13-11(17)8-2-3-9(10(12)15-8)16-6-4-14-5-7-16;1-2/h2-3,14H,4-7H2,1H3,(H,13,17);1-2H3.
What are the key properties of ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 168900115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).