6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid

C14H14N2O4 — CID 61471529

IUPAC6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCCc2ccco2)ccc1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-9-11(14(18)19)4-5-12(16-9)13(17)15-7-6-10-3-2-8-20-10/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyRRKOMJFFGOHVLB-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.65
Rot. Bonds5

About 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid

6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 61471529) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID61471529
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCCc2ccco2)ccc1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-9-11(14(18)19)4-5-12(16-9)13(17)15-7-6-10-3-2-8-20-10/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyRRKOMJFFGOHVLB-UHFFFAOYSA-N
XLogP1.65
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63331339
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 64523559
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid (CID 61471529) is 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)NCCc2ccco2)ccc1C(=O)O.
What is the InChIKey of 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is RRKOMJFFGOHVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-11(14(18)19)4-5-12(16-9)13(17)15-7-6-10-3-2-8-20-10/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 61471529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).