5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid

C14H15N3O5 — CID 120685085

IUPAC5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOCCN(Cc1ccco1)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C14H15N3O5/c1-21-6-4-17(9-10-3-2-5-22-10)13(18)11-7-16-12(8-15-11)14(19)20/h2-3,5,7-8H,4,6,9H2,1H3,(H,19,20)
InChIKeyHAZRTTPAWUAFSY-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.06
Rot. Bonds7

About 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid

5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685085) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685085
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOCCN(Cc1ccco1)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C14H15N3O5/c1-21-6-4-17(9-10-3-2-5-22-10)13(18)11-7-16-12(8-15-11)14(19)20/h2-3,5,7-8H,4,6,9H2,1H3,(H,19,20)
InChIKeyHAZRTTPAWUAFSY-UHFFFAOYSA-N
XLogP1.06
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 71972308
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 816538
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55594064
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5055169
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177

Frequently Asked Questions

What is the IUPAC name of 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685085) is 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid is COCCN(Cc1ccco1)C(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is HAZRTTPAWUAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-21-6-4-17(9-10-3-2-5-22-10)13(18)11-7-16-12(8-15-11)14(19)20/h2-3,5,7-8H,4,6,9H2,1H3,(H,19,20).
What are the key properties of 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).