N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide

C17H13N3O3 — CID 648003

IUPACN-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H13N3O3/c21-16(20-15-5-1-2-10-18-15)12-6-8-13(9-7-12)19-17(22)14-4-3-11-23-14/h1-11H,(H,19,22)(H,18,20,21)
InChIKeyWABFRDGZSSCJPD-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.18
Rot. Bonds4

About N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 648003) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID648003
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H13N3O3/c21-16(20-15-5-1-2-10-18-15)12-6-8-13(9-7-12)19-17(22)14-4-3-11-23-14/h1-11H,(H,19,22)(H,18,20,21)
InChIKeyWABFRDGZSSCJPD-UHFFFAOYSA-N
XLogP3.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 648003) is N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is WABFRDGZSSCJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16(20-15-5-1-2-10-18-15)12-6-8-13(9-7-12)19-17(22)14-4-3-11-23-14/h1-11H,(H,19,22)(H,18,20,21).
What are the key properties of N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 648003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).