3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid

C11H11N3O3 — CID 55107661

IUPAC3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
SMILESCN(Cc1ccoc1)c1nccnc1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-14(6-8-2-5-17-7-8)10-9(11(15)16)12-3-4-13-10/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyNQSBTUVDFQAVDQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.40
Rot. Bonds4

About 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid

3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid (PubChem CID 55107661) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
PubChem CID55107661
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
SMILESCN(Cc1ccoc1)c1nccnc1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-14(6-8-2-5-17-7-8)10-9(11(15)16)12-3-4-13-10/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyNQSBTUVDFQAVDQ-UHFFFAOYSA-N
XLogP1.40
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
3-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 62702540
N-(furan-3-ylmethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 61422868
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
2-[furan-3-ylmethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568217
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61422213
2-fluoro-4-[furan-3-ylmethyl(methyl)amino]benzoic acid
CID 115485376
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627

Frequently Asked Questions

What is the IUPAC name of 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid (CID 55107661) is 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid is CN(Cc1ccoc1)c1nccnc1C(=O)O.
What is the InChIKey of 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is NQSBTUVDFQAVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14(6-8-2-5-17-7-8)10-9(11(15)16)12-3-4-13-10/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid?
3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).