5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid

C13H14N2O4 — CID 104608919

IUPAC5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1cc(CNCc2cc(C(=O)O)co2)ccn1
InChIInChI=1S/C13H14N2O4/c1-18-12-4-9(2-3-15-12)6-14-7-11-5-10(8-19-11)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKeyWZZOXTNIBYQVLZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.67
Rot. Bonds6

About 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid

5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 104608919) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID104608919
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1cc(CNCc2cc(C(=O)O)co2)ccn1
InChIInChI=1S/C13H14N2O4/c1-18-12-4-9(2-3-15-12)6-14-7-11-5-10(8-19-11)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKeyWZZOXTNIBYQVLZ-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-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608623
2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894588
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103250201
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62989679
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid
CID 103250162
3-chloro-4-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 63088979
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
CID 80700524

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid (CID 104608919) is 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid is COc1cc(CNCc2cc(C(=O)O)co2)ccn1.
What is the InChIKey of 5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is WZZOXTNIBYQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-12-4-9(2-3-15-12)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-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(2-methoxy-4-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-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).