5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid

C16H23N3O4 — CID 120689155

IUPAC5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCOC1CC(NC(=O)c2cnc(C(=O)O)cn2)C1(CC)CC
InChIInChI=1S/C16H23N3O4/c1-4-16(5-2)12(7-13(16)23-6-3)19-14(20)10-8-18-11(9-17-10)15(21)22/h8-9,12-13H,4-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQPWUHKPBBFKGDC-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.89
Rot. Bonds7

About 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689155) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689155
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCOC1CC(NC(=O)c2cnc(C(=O)O)cn2)C1(CC)CC
InChIInChI=1S/C16H23N3O4/c1-4-16(5-2)12(7-13(16)23-6-3)19-14(20)10-8-18-11(9-17-10)15(21)22/h8-9,12-13H,4-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQPWUHKPBBFKGDC-UHFFFAOYSA-N
XLogP1.89
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
2-N-(3-ethoxy-2,2-diethylcyclobutyl)pyridine-2,5-dicarboxamide
CID 119146326
2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638709
3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119146327
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
CID 124877205
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822495
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673960
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
6-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103832164
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 96528939
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 103790354

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120689155) is 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid is CCOC1CC(NC(=O)c2cnc(C(=O)O)cn2)C1(CC)CC.
What is the InChIKey of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is QPWUHKPBBFKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-4-16(5-2)12(7-13(16)23-6-3)19-14(20)10-8-18-11(9-17-10)15(21)22/h8-9,12-13H,4-7H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).