6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide

C10H15N3O2 — CID 579688

IUPAC6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCCC2NC=C(C(N)=O)C(=O)N12
InChIInChI=1S/C10H15N3O2/c1-6-3-2-4-8-12-5-7(9(11)14)10(15)13(6)8/h5-6,8,12H,2-4H2,1H3,(H2,11,14)
InChIKeyUWAODFKLWXEVDH-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.31
Rot. Bonds1

About 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 579688) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID579688
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCCC2NC=C(C(N)=O)C(=O)N12
InChIInChI=1S/C10H15N3O2/c1-6-3-2-4-8-12-5-7(9(11)14)10(15)13(6)8/h5-6,8,12H,2-4H2,1H3,(H2,11,14)
InChIKeyUWAODFKLWXEVDH-UHFFFAOYSA-N
XLogP-0.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide (CID 579688) is 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide is CC1CCCC2NC=C(C(N)=O)C(=O)N12.
What is the InChIKey of 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UWAODFKLWXEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-3-2-4-8-12-5-7(9(11)14)10(15)13(6)8/h5-6,8,12H,2-4H2,1H3,(H2,11,14).
What are the key properties of 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 579688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).