5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid

C13H14N2O4 — CID 104608623

IUPAC5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ncccc1CNCc1cc(C(=O)O)co1
InChIInChI=1S/C13H14N2O4/c1-18-12-9(3-2-4-15-12)6-14-7-11-5-10(8-19-11)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKeyGKWKFZLLPPIUNG-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.67
Rot. Bonds6

About 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid

5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 104608623) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID104608623
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ncccc1CNCc1cc(C(=O)O)co1
InChIInChI=1S/C13H14N2O4/c1-18-12-9(3-2-4-15-12)6-14-7-11-5-10(8-19-11)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKeyGKWKFZLLPPIUNG-UHFFFAOYSA-N
XLogP1.67
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 103230071
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60761601
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
3-[[(2-butoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030752
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid (CID 104608623) is 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid is COc1ncccc1CNCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is GKWKFZLLPPIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-12-9(3-2-4-15-12)6-14-7-11-5-10(8-19-11)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).