5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid

C17H23N3O4 — CID 120685796

IUPAC5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCOC1CC(NC(=O)c2cnc(C(=O)O)cn2)C12CCCCC2
InChIInChI=1S/C17H23N3O4/c1-2-24-14-8-13(17(14)6-4-3-5-7-17)20-15(21)11-9-19-12(10-18-11)16(22)23/h9-10,13-14H,2-8H2,1H3,(H,20,21)(H,22,23)
InChIKeyXRVNQXILCZFDKZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.03
Rot. Bonds5

About 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid

5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685796) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685796
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCOC1CC(NC(=O)c2cnc(C(=O)O)cn2)C12CCCCC2
InChIInChI=1S/C17H23N3O4/c1-2-24-14-8-13(17(14)6-4-3-5-7-17)20-15(21)11-9-19-12(10-18-11)16(22)23/h9-10,13-14H,2-8H2,1H3,(H,20,21)(H,22,23)
InChIKeyXRVNQXILCZFDKZ-UHFFFAOYSA-N
XLogP2.03
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689155
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99810928
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004396
1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
CID 97100576
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71980633
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 124856947

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685796) is 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid is CCOC1CC(NC(=O)c2cnc(C(=O)O)cn2)C12CCCCC2.
What is the InChIKey of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is XRVNQXILCZFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-24-14-8-13(17(14)6-4-3-5-7-17)20-15(21)11-9-19-12(10-18-11)16(22)23/h9-10,13-14H,2-8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).