N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide

C17H12FN3O3 — CID 1452814

IUPACN-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccc(F)c1
InChIInChI=1S/C17H12FN3O3/c18-12-4-1-3-11(9-12)16(22)20-13-6-7-15(19-10-13)21-17(23)14-5-2-8-24-14/h1-10H,(H,20,22)(H,19,21,23)
InChIKeyNPXHJZWXHIZYFI-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.32
Rot. Bonds4

About N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide

N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide (PubChem CID 1452814) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide
PubChem CID1452814
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC NameN-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccc(F)c1
InChIInChI=1S/C17H12FN3O3/c18-12-4-1-3-11(9-12)16(22)20-13-6-7-15(19-10-13)21-17(23)14-5-2-8-24-14/h1-10H,(H,20,22)(H,19,21,23)
InChIKeyNPXHJZWXHIZYFI-UHFFFAOYSA-N
XLogP3.32
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide (CID 1452814) is N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccc(F)c1.
What is the InChIKey of N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is NPXHJZWXHIZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-12-4-1-3-11(9-12)16(22)20-13-6-7-15(19-10-13)21-17(23)14-5-2-8-24-14/h1-10H,(H,20,22)(H,19,21,23).
What are the key properties of N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorobenzoyl)amino]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 1452814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).