N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide

C12H11ClN2O2 — CID 115626699

IUPACN-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)ccn2)o1
InChIInChI=1S/C12H11ClN2O2/c1-2-9-3-4-10(17-9)12(16)15-11-7-8(13)5-6-14-11/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyWKBNRBWANBYBRM-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.14
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide

N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide (PubChem CID 115626699) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide
PubChem CID115626699
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)ccn2)o1
InChIInChI=1S/C12H11ClN2O2/c1-2-9-3-4-10(17-9)12(16)15-11-7-8(13)5-6-14-11/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyWKBNRBWANBYBRM-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-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 N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide (CID 115626699) is N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2cc(Cl)ccn2)o1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide?
The InChIKey is WKBNRBWANBYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-9-3-4-10(17-9)12(16)15-11-7-8(13)5-6-14-11/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide?
N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 115626699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).