5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid

C14H16N2O4 — CID 103230075

IUPAC5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid
SMILESCOc1ncccc1CNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H16N2O4/c1-9(11-5-6-12(20-11)14(17)18)16-8-10-4-3-7-15-13(10)19-2/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyUWDWVMCFDQNFDJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.23
Rot. Bonds6

About 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid

5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid (PubChem CID 103230075) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid
PubChem CID103230075
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid
SMILESCOc1ncccc1CNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H16N2O4/c1-9(11-5-6-12(20-11)14(17)18)16-8-10-4-3-7-15-13(10)19-2/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyUWDWVMCFDQNFDJ-UHFFFAOYSA-N
XLogP2.23
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028469
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 103230071

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid (CID 103230075) is 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid is COc1ncccc1CNC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid?
The InChIKey is UWDWVMCFDQNFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(11-5-6-12(20-11)14(17)18)16-8-10-4-3-7-15-13(10)19-2/h3-7,9,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid?
5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103230075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).