3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C15H20N4O5 — CID 59771059

IUPAC3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(=O)C(=O)N(C)C1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O
InChIInChI=1S/C15H20N4O5/c1-8(20)13(22)18(4)9-6-5-7-19-12(9)16-10(11(21)15(19)24)14(23)17(2)3/h9,21H,5-7H2,1-4H3
InChIKeyJXEHMFYABAMPRS-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.47
Rot. Bonds3

About 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 59771059) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID59771059
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(=O)C(=O)N(C)C1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O
InChIInChI=1S/C15H20N4O5/c1-8(20)13(22)18(4)9-6-5-7-19-12(9)16-10(11(21)15(19)24)14(23)17(2)3/h9,21H,5-7H2,1-4H3
InChIKeyJXEHMFYABAMPRS-UHFFFAOYSA-N
XLogP-0.47
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 59771059) is 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is CC(=O)C(=O)N(C)C1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is JXEHMFYABAMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-8(20)13(22)18(4)9-6-5-7-19-12(9)16-10(11(21)15(19)24)14(23)17(2)3/h9,21H,5-7H2,1-4H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-9-[methyl(2-oxopropanoyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 59771059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).