2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide

C11H15FN4O — CID 169090113

IUPAC2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide
SMILESCc1cnc(N2CCCC(F)C2)nc1C(N)=O
InChIInChI=1S/C11H15FN4O/c1-7-5-14-11(15-9(7)10(13)17)16-4-2-3-8(12)6-16/h5,8H,2-4,6H2,1H3,(H2,13,17)
InChIKeyUDFINMBCGDTBOW-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.82
Rot. Bonds2

About 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide

2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide (PubChem CID 169090113) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide
PubChem CID169090113
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide
SMILESCc1cnc(N2CCCC(F)C2)nc1C(N)=O
InChIInChI=1S/C11H15FN4O/c1-7-5-14-11(15-9(7)10(13)17)16-4-2-3-8(12)6-16/h5,8H,2-4,6H2,1H3,(H2,13,17)
InChIKeyUDFINMBCGDTBOW-UHFFFAOYSA-N
XLogP0.82
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide (CID 169090113) is 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide is Cc1cnc(N2CCCC(F)C2)nc1C(N)=O.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide?
The InChIKey is UDFINMBCGDTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-7-5-14-11(15-9(7)10(13)17)16-4-2-3-8(12)6-16/h5,8H,2-4,6H2,1H3,(H2,13,17).
What are the key properties of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide?
2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 169090113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).