4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid

C18H26N2O4 — CID 119186362

IUPAC4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCCN(C(=O)c1ccnc(C(=O)O)c1)C1CC(OCC)C1(C)C
InChIInChI=1S/C18H26N2O4/c1-5-9-20(14-11-15(24-6-2)18(14,3)4)16(21)12-7-8-19-13(10-12)17(22)23/h7-8,10,14-15H,5-6,9,11H2,1-4H3,(H,22,23)
InChIKeyIFTCXUIRQCQEEH-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds7

About 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid

4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119186362) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119186362
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCCN(C(=O)c1ccnc(C(=O)O)c1)C1CC(OCC)C1(C)C
InChIInChI=1S/C18H26N2O4/c1-5-9-20(14-11-15(24-6-2)18(14,3)4)16(21)12-7-8-19-13(10-12)17(22)23/h7-8,10,14-15H,5-6,9,11H2,1-4H3,(H,22,23)
InChIKeyIFTCXUIRQCQEEH-UHFFFAOYSA-N
XLogP2.84
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid (CID 119186362) is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid is CCCN(C(=O)c1ccnc(C(=O)O)c1)C1CC(OCC)C1(C)C.
What is the InChIKey of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is IFTCXUIRQCQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-9-20(14-11-15(24-6-2)18(14,3)4)16(21)12-7-8-19-13(10-12)17(22)23/h7-8,10,14-15H,5-6,9,11H2,1-4H3,(H,22,23).
What are the key properties of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid?
4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).