5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid

C13H14N2O4 — CID 104608673

IUPAC5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
SMILESCCn1cc(NCc2cc(C(=O)O)co2)ccc1=O
InChIInChI=1S/C13H14N2O4/c1-2-15-7-10(3-4-12(15)16)14-6-11-5-9(8-19-11)13(17)18/h3-5,7-8,14H,2,6H2,1H3,(H,17,18)
InChIKeyLTQAFUNUNDPQJF-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.77
Rot. Bonds5

About 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid

5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 104608673) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
PubChem CID104608673
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
SMILESCCn1cc(NCc2cc(C(=O)O)co2)ccc1=O
InChIInChI=1S/C13H14N2O4/c1-2-15-7-10(3-4-12(15)16)14-6-11-5-9(8-19-11)13(17)18/h3-5,7-8,14H,2,6H2,1H3,(H,17,18)
InChIKeyLTQAFUNUNDPQJF-UHFFFAOYSA-N
XLogP1.77
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(dimethylamino)anilino]methyl]furan-3-carboxylic acid
CID 104608239
5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435
5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410
5-[[4-(trifluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104607970
5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
CID 54863971
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
CID 104608670
4-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]-N-methylbenzamide
CID 60984866
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid
CID 104607977
3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide
CID 63277077
(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169258

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid (CID 104608673) is 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid is CCn1cc(NCc2cc(C(=O)O)co2)ccc1=O.
What is the InChIKey of 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is LTQAFUNUNDPQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-15-7-10(3-4-12(15)16)14-6-11-5-9(8-19-11)13(17)18/h3-5,7-8,14H,2,6H2,1H3,(H,17,18).
What are the key properties of 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid?
5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).