2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C17H20N4O4 — CID 135617001

IUPAC2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCCN3CCCC3=O)c(O)nc2c1
InChIInChI=1S/C17H20N4O4/c1-11-5-9-21-12(10-11)19-16(24)14(17(21)25)15(23)18-6-3-8-20-7-2-4-13(20)22/h5,9-10,24H,2-4,6-8H2,1H3,(H,18,23)
InChIKeyXDTFMWIEZDIFJE-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.45
Rot. Bonds5

About 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135617001) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135617001
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCCN3CCCC3=O)c(O)nc2c1
InChIInChI=1S/C17H20N4O4/c1-11-5-9-21-12(10-11)19-16(24)14(17(21)25)15(23)18-6-3-8-20-7-2-4-13(20)22/h5,9-10,24H,2-4,6-8H2,1H3,(H,18,23)
InChIKeyXDTFMWIEZDIFJE-UHFFFAOYSA-N
XLogP0.45
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135617001) is 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCCCN3CCCC3=O)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XDTFMWIEZDIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-5-9-21-12(10-11)19-16(24)14(17(21)25)15(23)18-6-3-8-20-7-2-4-13(20)22/h5,9-10,24H,2-4,6-8H2,1H3,(H,18,23).
What are the key properties of 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).