2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid

C16H18N2O5 — CID 119348060

IUPAC2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C16H18N2O5/c1-11-12(5-6-13(17-11)14-4-3-8-23-14)16(21)18(7-9-22-2)10-15(19)20/h3-6,8H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyRQPRUAFCPFJRTQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.82
Rot. Bonds7

About 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119348060) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119348060
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C16H18N2O5/c1-11-12(5-6-13(17-11)14-4-3-8-23-14)16(21)18(7-9-22-2)10-15(19)20/h3-6,8H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyRQPRUAFCPFJRTQ-UHFFFAOYSA-N
XLogP1.82
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
N-ethyl-6-(furan-2-yl)-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-3-carboxamide
CID 95296137
6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119430450
N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 119495808
1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539861
6-(furan-2-yl)-2-methyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119823721
6-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylpyridine-3-carboxamide
CID 110922170
2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 120521980
tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate
CID 75458328
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid (CID 119348060) is 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(-c2ccco2)nc1C.
What is the InChIKey of 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is RQPRUAFCPFJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11-12(5-6-13(17-11)14-4-3-8-23-14)16(21)18(7-9-22-2)10-15(19)20/h3-6,8H,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 318.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).