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

C15H24N4O3 — CID 59771084

IUPAC3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)N(C)C1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O
InChIInChI=1S/C15H24N4O3/c1-9(2)18(5)10-7-6-8-19-13(10)16-11(12(20)15(19)22)14(21)17(3)4/h9-10,20H,6-8H2,1-5H3
InChIKeyDQBLFVSAKHSCMH-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.83
Rot. Bonds3

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

3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 59771084) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID59771084
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)N(C)C1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O
InChIInChI=1S/C15H24N4O3/c1-9(2)18(5)10-7-6-8-19-13(10)16-11(12(20)15(19)22)14(21)17(3)4/h9-10,20H,6-8H2,1-5H3
InChIKeyDQBLFVSAKHSCMH-UHFFFAOYSA-N
XLogP0.83
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)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(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 59771084) is 3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)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(propan-2-yl)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(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is CC(C)N(C)C1CCCn2c1nc(C(=O)N(C)C)c(O)c2=O.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DQBLFVSAKHSCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9(2)18(5)10-7-6-8-19-13(10)16-11(12(20)15(19)22)14(21)17(3)4/h9-10,20H,6-8H2,1-5H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 59771084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).