3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C12H17N3O3 — CID 59771085

IUPAC3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O
InChIInChI=1S/C12H17N3O3/c1-7-5-4-6-15-10(7)13-8(9(16)12(15)18)11(17)14(2)3/h7,16H,4-6H2,1-3H3
InChIKeyUDLFZHQVJWLBRR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.55
Rot. Bonds1

About 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 59771085) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID59771085
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O
InChIInChI=1S/C12H17N3O3/c1-7-5-4-6-15-10(7)13-8(9(16)12(15)18)11(17)14(2)3/h7,16H,4-6H2,1-3H3
InChIKeyUDLFZHQVJWLBRR-UHFFFAOYSA-N
XLogP0.55
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 59771085) is 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is CC1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O.
What is the InChIKey of 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is UDLFZHQVJWLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-4-6-15-10(7)13-8(9(16)12(15)18)11(17)14(2)3/h7,16H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N,9-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 59771085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).