1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H19N3O4 — CID 43351096

IUPAC1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1nc(C(=O)NC2(C(=O)O)CCCC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-9-17-11(18)6-5-10(16-17)12(19)15-14(13(20)21)7-3-4-8-14/h5-6H,2-4,7-9H2,1H3,(H,15,19)(H,20,21)
InChIKeyAYFHEDZTOPOXEL-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.78
Rot. Bonds5

About 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351096) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351096
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1nc(C(=O)NC2(C(=O)O)CCCC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-9-17-11(18)6-5-10(16-17)12(19)15-14(13(20)21)7-3-4-8-14/h5-6H,2-4,7-9H2,1H3,(H,15,19)(H,20,21)
InChIKeyAYFHEDZTOPOXEL-UHFFFAOYSA-N
XLogP0.78
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43351096) is 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCn1nc(C(=O)NC2(C(=O)O)CCCC2)ccc1=O.
What is the InChIKey of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AYFHEDZTOPOXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-9-17-11(18)6-5-10(16-17)12(19)15-14(13(20)21)7-3-4-8-14/h5-6H,2-4,7-9H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).