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

C18H15N3O3 — CID 839474

IUPACN-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(20-12-15-4-1-2-10-19-15)13-6-8-14(9-7-13)21-18(23)16-5-3-11-24-16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeySXHPFOIWRQZUAZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.86
Rot. Bonds5

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

N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 839474) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID839474
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(20-12-15-4-1-2-10-19-15)13-6-8-14(9-7-13)21-18(23)16-5-3-11-24-16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeySXHPFOIWRQZUAZ-UHFFFAOYSA-N
XLogP2.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.86
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-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (CID 839474) is N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is SXHPFOIWRQZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(20-12-15-4-1-2-10-19-15)13-6-8-14(9-7-13)21-18(23)16-5-3-11-24-16/h1-11H,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 839474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).