2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid

C15H16N2O5 — CID 120522914

IUPAC2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccn(C)c2=O)cc1C(=O)O
InChIInChI=1S/C15H16N2O5/c1-9-12(15(20)21)7-10(22-9)8-17(3)14(19)11-5-4-6-16(2)13(11)18/h4-7H,8H2,1-3H3,(H,20,21)
InChIKeyZQMGXQCGIOMUJD-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 120522914) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID120522914
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccn(C)c2=O)cc1C(=O)O
InChIInChI=1S/C15H16N2O5/c1-9-12(15(20)21)7-10(22-9)8-17(3)14(19)11-5-4-6-16(2)13(11)18/h4-7H,8H2,1-3H3,(H,20,21)
InChIKeyZQMGXQCGIOMUJD-UHFFFAOYSA-N
XLogP1.26
TPSA92.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
2-methyl-5-[[methyl-(6-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119221765
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717
2-methyl-5-[[methyl-(3-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522958
2-methyl-5-[[methyl-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125132596
2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120523011
5-[[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522862
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
2-methyl-5-[[methyl-(2-methyl-4-nitrobenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 120522914) is 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cccn(C)c2=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is ZQMGXQCGIOMUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-12(15(20)21)7-10(22-9)8-17(3)14(19)11-5-4-6-16(2)13(11)18/h4-7H,8H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 120522914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).