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

C14H15ClN2O3 — CID 75417674

IUPAC5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2c[nH]c(=O)c(Cl)c2)c(C)o1
InChIInChI=1S/C14H15ClN2O3/c1-7-4-11(9(3)20-7)8(2)17-13(18)10-5-12(15)14(19)16-6-10/h4-6,8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyIZULZDFTJOYANJ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.73
Rot. Bonds3

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

5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 75417674) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID75417674
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2c[nH]c(=O)c(Cl)c2)c(C)o1
InChIInChI=1S/C14H15ClN2O3/c1-7-4-11(9(3)20-7)8(2)17-13(18)10-5-12(15)14(19)16-6-10/h4-6,8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyIZULZDFTJOYANJ-UHFFFAOYSA-N
XLogP2.73
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 75417674) is 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(C)NC(=O)c2c[nH]c(=O)c(Cl)c2)c(C)o1.
What is the InChIKey of 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IZULZDFTJOYANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-7-4-11(9(3)20-7)8(2)17-13(18)10-5-12(15)14(19)16-6-10/h4-6,8H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75417674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).