2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid

C13H13NO4 — CID 62961234

IUPAC2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
SMILESCc1ccn(Cc2cc(C(=O)O)c(C)o2)c(=O)c1
InChIInChI=1S/C13H13NO4/c1-8-3-4-14(12(15)5-8)7-10-6-11(13(16)17)9(2)18-10/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyZVVOXWQYELPVKR-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid

2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid (PubChem CID 62961234) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
PubChem CID62961234
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
SMILESCc1ccn(Cc2cc(C(=O)O)c(C)o2)c(=O)c1
InChIInChI=1S/C13H13NO4/c1-8-3-4-14(12(15)5-8)7-10-6-11(13(16)17)9(2)18-10/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyZVVOXWQYELPVKR-UHFFFAOYSA-N
XLogP1.80
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
2-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
CID 62880491
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477298
5-[(2,5-dioxopyrrol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 54907820
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 43477336
2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
CID 68750620
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477289
2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
CID 61023796
2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 104824982
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
4-methyl-1-[(5-nitrofuran-2-yl)methyl]pyridin-2-one
CID 116622628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid (CID 62961234) is 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid is Cc1ccn(Cc2cc(C(=O)O)c(C)o2)c(=O)c1.
What is the InChIKey of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
The InChIKey is ZVVOXWQYELPVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-3-4-14(12(15)5-8)7-10-6-11(13(16)17)9(2)18-10/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62961234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).