6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid

C13H13N3O3 — CID 165478239

IUPAC6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
SMILESCCCn1cnc(-c2cccnc2)c(C(=O)O)c1=O
InChIInChI=1S/C13H13N3O3/c1-2-6-16-8-15-11(9-4-3-5-14-7-9)10(12(16)17)13(18)19/h3-5,7-8H,2,6H2,1H3,(H,18,19)
InChIKeyHIPMXKKKKWXULJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.41
Rot. Bonds4

About 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid

6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid (PubChem CID 165478239) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
PubChem CID165478239
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
SMILESCCCn1cnc(-c2cccnc2)c(C(=O)O)c1=O
InChIInChI=1S/C13H13N3O3/c1-2-6-16-8-15-11(9-4-3-5-14-7-9)10(12(16)17)13(18)19/h3-5,7-8H,2,6H2,1H3,(H,18,19)
InChIKeyHIPMXKKKKWXULJ-UHFFFAOYSA-N
XLogP1.41
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 170220230
2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 12766254
1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 3795407
5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
4,5-diphenyl-1-propylimidazole
CID 14950648
4-pentoxy-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 139881748
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531851
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 150087944
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932
4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 170502603

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid (CID 165478239) is 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid is CCCn1cnc(-c2cccnc2)c(C(=O)O)c1=O.
What is the InChIKey of 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid?
The InChIKey is HIPMXKKKKWXULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-6-16-8-15-11(9-4-3-5-14-7-9)10(12(16)17)13(18)19/h3-5,7-8H,2,6H2,1H3,(H,18,19).
What are the key properties of 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid?
6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 165478239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).