4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide

C19H23FN6O2 — CID 121338433

IUPAC4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide
SMILESC=Cc1c(C(=O)NC2CCN(c3ncc(F)cn3)CC2)cn(C)c(=O)c1NC
InChIInChI=1S/C19H23FN6O2/c1-4-14-15(11-25(3)18(28)16(14)21-2)17(27)24-13-5-7-26(8-6-13)19-22-9-12(20)10-23-19/h4,9-11,13,21H,1,5-8H2,2-3H3,(H,24,27)
InChIKeyUEKXFZAVNGMKTK-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.40
Rot. Bonds5

About 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide

4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide (PubChem CID 121338433) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide
PubChem CID121338433
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide
SMILESC=Cc1c(C(=O)NC2CCN(c3ncc(F)cn3)CC2)cn(C)c(=O)c1NC
InChIInChI=1S/C19H23FN6O2/c1-4-14-15(11-25(3)18(28)16(14)21-2)17(27)24-13-5-7-26(8-6-13)19-22-9-12(20)10-23-19/h4,9-11,13,21H,1,5-8H2,2-3H3,(H,24,27)
InChIKeyUEKXFZAVNGMKTK-UHFFFAOYSA-N
XLogP1.40
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide (CID 121338433) is 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide is C=Cc1c(C(=O)NC2CCN(c3ncc(F)cn3)CC2)cn(C)c(=O)c1NC.
What is the InChIKey of 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide?
The InChIKey is UEKXFZAVNGMKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-4-14-15(11-25(3)18(28)16(14)21-2)17(27)24-13-5-7-26(8-6-13)19-22-9-12(20)10-23-19/h4,9-11,13,21H,1,5-8H2,2-3H3,(H,24,27).
What are the key properties of 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide?
4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methyl-5-(methylamino)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 121338433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).