5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C15H16N2O5 — CID 120523820

IUPAC5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1nc(C)ccc1C(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H16N2O5/c1-8-4-5-11(14(17-8)21-3)13(18)16-7-10-6-12(15(19)20)9(2)22-10/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyWZEONFGFFGYKCN-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.93
Rot. Bonds5

About 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 120523820) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID120523820
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1nc(C)ccc1C(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H16N2O5/c1-8-4-5-11(14(17-8)21-3)13(18)16-7-10-6-12(15(19)20)9(2)22-10/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyWZEONFGFFGYKCN-UHFFFAOYSA-N
XLogP1.93
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[(2,5-dibromobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114367941
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664
5-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226452
5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687189
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 120523820) is 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is COc1nc(C)ccc1C(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is WZEONFGFFGYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-4-5-11(14(17-8)21-3)13(18)16-7-10-6-12(15(19)20)9(2)22-10/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 120523820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).