2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid

C13H12N2O4 — CID 114263545

IUPAC2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)c1occc1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-6-14-4-2-9(8)7-15-12(16)11-10(13(17)18)3-5-19-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyQYROCDWVXAKZKJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.61
Rot. Bonds4

About 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid

2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 114263545) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID114263545
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)c1occc1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-6-14-4-2-9(8)7-15-12(16)11-10(13(17)18)3-5-19-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyQYROCDWVXAKZKJ-UHFFFAOYSA-N
XLogP1.61
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370049
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610
methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 114699136
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid (CID 114263545) is 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid is Cc1cnccc1CNC(=O)c1occc1C(=O)O.
What is the InChIKey of 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is QYROCDWVXAKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-6-14-4-2-9(8)7-15-12(16)11-10(13(17)18)3-5-19-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid?
2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 114263545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).