1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide

C16H21N4O2+ — CID 8546021

IUPAC1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide
SMILESCc1cccc2nc(C[NH+]3CCC(C(N)=O)CC3)cc(=O)n12
InChIInChI=1S/C16H20N4O2/c1-11-3-2-4-14-18-13(9-15(21)20(11)14)10-19-7-5-12(6-8-19)16(17)22/h2-4,9,12H,5-8,10H2,1H3,(H2,17,22)/p+1
InChIKeyGBOKCNSHNUZLEU-UHFFFAOYSA-O
MW301.37 g/mol
LogP-0.72
Rot. Bonds3

About 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide

1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 8546021) has the molecular formula C16H21N4O2+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID8546021
Molecular FormulaC16H21N4O2+
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide
SMILESCc1cccc2nc(C[NH+]3CCC(C(N)=O)CC3)cc(=O)n12
InChIInChI=1S/C16H20N4O2/c1-11-3-2-4-14-18-13(9-15(21)20(11)14)10-19-7-5-12(6-8-19)16(17)22/h2-4,9,12H,5-8,10H2,1H3,(H2,17,22)/p+1
InChIKeyGBOKCNSHNUZLEU-UHFFFAOYSA-O
XLogP-0.72
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide (CID 8546021) is 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide is Cc1cccc2nc(C[NH+]3CCC(C(N)=O)CC3)cc(=O)n12.
What is the InChIKey of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is GBOKCNSHNUZLEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N4O2/c1-11-3-2-4-14-18-13(9-15(21)20(11)14)10-19-7-5-12(6-8-19)16(17)22/h2-4,9,12H,5-8,10H2,1H3,(H2,17,22)/p+1.
What are the key properties of 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide?
1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8546021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).