N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H16N2O3 — CID 47081567

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(=O)[nH]c2)c(C)o1
InChIInChI=1S/C14H16N2O3/c1-8-6-12(10(3)19-8)9(2)16-14(18)11-4-5-13(17)15-7-11/h4-7,9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyRWEOEUMSOFHLBM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47081567) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47081567
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(=O)[nH]c2)c(C)o1
InChIInChI=1S/C14H16N2O3/c1-8-6-12(10(3)19-8)9(2)16-14(18)11-4-5-13(17)15-7-11/h4-7,9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyRWEOEUMSOFHLBM-UHFFFAOYSA-N
XLogP2.08
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Furmecyclox
CID 43359
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CID 827173
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
2-Acetylamino-N-benzyl-3-(5-methyl-furan-2-yl)-acrylamide
CID 5771217
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
Cyclafuramid
CID 93178
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 47081567) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(C)NC(=O)c2ccc(=O)[nH]c2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RWEOEUMSOFHLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-6-12(10(3)19-8)9(2)16-14(18)11-4-5-13(17)15-7-11/h4-7,9H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).