4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid

C18H19N3O4 — CID 119061488

IUPAC4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(C(=O)N2CC(c3ccccn3)C2)c1
InChIInChI=1S/C18H19N3O4/c1-11(2)20-9-13(16(22)14(10-20)18(24)25)17(23)21-7-12(8-21)15-5-3-4-6-19-15/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)
InChIKeyQOVLSIPPKPOEMC-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.76
Rot. Bonds4

About 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid

4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 119061488) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID119061488
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(C(=O)N2CC(c3ccccn3)C2)c1
InChIInChI=1S/C18H19N3O4/c1-11(2)20-9-13(16(22)14(10-20)18(24)25)17(23)21-7-12(8-21)15-5-3-4-6-19-15/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)
InChIKeyQOVLSIPPKPOEMC-UHFFFAOYSA-N
XLogP1.76
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-5-(4-phenylazepane-1-carbonyl)-1-propan-2-ylpyridin-4-one
CID 45197914
4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 126441123
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 56901001
[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 172674392
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one
CID 166375860
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 95729485
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 72897730

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid (CID 119061488) is 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid is CC(C)n1cc(C(=O)O)c(=O)c(C(=O)N2CC(c3ccccn3)C2)c1.
What is the InChIKey of 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is QOVLSIPPKPOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(2)20-9-13(16(22)14(10-20)18(24)25)17(23)21-7-12(8-21)15-5-3-4-6-19-15/h3-6,9-12H,7-8H2,1-2H3,(H,24,25).
What are the key properties of 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid?
4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 119061488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).