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

C9H11N3O3 — CID 67147802

IUPAC3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nc2n(c(=O)c1O)CCCC2
InChIInChI=1S/C9H11N3O3/c10-8(14)6-7(13)9(15)12-4-2-1-3-5(12)11-6/h13H,1-4H2,(H2,10,14)
InChIKeyNBNKGJBCPXUSCM-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.62
Rot. Bonds1

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

3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 67147802) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID67147802
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nc2n(c(=O)c1O)CCCC2
InChIInChI=1S/C9H11N3O3/c10-8(14)6-7(13)9(15)12-4-2-1-3-5(12)11-6/h13H,1-4H2,(H2,10,14)
InChIKeyNBNKGJBCPXUSCM-UHFFFAOYSA-N
XLogP-0.62
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 67147802) is 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is NC(=O)c1nc2n(c(=O)c1O)CCCC2.
What is the InChIKey of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NBNKGJBCPXUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-8(14)6-7(13)9(15)12-4-2-1-3-5(12)11-6/h13H,1-4H2,(H2,10,14).
What are the key properties of 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 209.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 67147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).