5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C17H13ClN2O2 — CID 1071266

IUPAC5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H13ClN2O2/c18-14-5-3-13(4-6-14)15-7-8-16(22-15)17(21)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyAHWGELOLRNHFKA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.92
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 1071266) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID1071266
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H13ClN2O2/c18-14-5-3-13(4-6-14)15-7-8-16(22-15)17(21)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyAHWGELOLRNHFKA-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-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 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 1071266) is 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is AHWGELOLRNHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-5-3-13(4-6-14)15-7-8-16(22-15)17(21)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1071266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).