4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid

C9H10N2O3 — CID 83878713

IUPAC4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESO=C(O)C1CCCn2c1nccc2=O
InChIInChI=1S/C9H10N2O3/c12-7-3-4-10-8-6(9(13)14)2-1-5-11(7)8/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyLDYJOFFXKBTXOG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.21
Rot. Bonds1

About 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid

4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid (PubChem CID 83878713) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
PubChem CID83878713
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
SMILESO=C(O)C1CCCn2c1nccc2=O
InChIInChI=1S/C9H10N2O3/c12-7-3-4-10-8-6(9(13)14)2-1-5-11(7)8/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyLDYJOFFXKBTXOG-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 12339732
1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]piperidine-3-carboxylic acid
CID 75466375
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 83878711
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
CID 83878712
2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 83883665
2-Ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 83890527
2-Ethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 83890529
1-(4-Oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 85835956
(3S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 97618707
(3R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 97618708
5-Methyl-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106814
5-Methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117155

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid (CID 83878713) is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid.
What is the SMILES notation for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The canonical SMILES for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid is O=C(O)C1CCCn2c1nccc2=O.
What is the InChIKey of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
The InChIKey is LDYJOFFXKBTXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-7-3-4-10-8-6(9(13)14)2-1-5-11(7)8/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid?
4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid is sourced from PubChem (CID 83878713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).