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

C18H15N3O3 — CID 652282

IUPACN-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1
InChIInChI=1S/C18H15N3O3/c22-17(11-13-5-2-1-3-6-13)20-14-8-9-16(19-12-14)21-18(23)15-7-4-10-24-15/h1-10,12H,11H2,(H,20,22)(H,19,21,23)
InChIKeySIRUSAPCZXYYJT-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.11
Rot. Bonds5

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

N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide (PubChem CID 652282) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide
PubChem CID652282
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1
InChIInChI=1S/C18H15N3O3/c22-17(11-13-5-2-1-3-6-13)20-14-8-9-16(19-12-14)21-18(23)15-7-4-10-24-15/h1-10,12H,11H2,(H,20,22)(H,19,21,23)
InChIKeySIRUSAPCZXYYJT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide (CID 652282) is N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide is O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1.
What is the InChIKey of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is SIRUSAPCZXYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(11-13-5-2-1-3-6-13)20-14-8-9-16(19-12-14)21-18(23)15-7-4-10-24-15/h1-10,12H,11H2,(H,20,22)(H,19,21,23).
What are the key properties of N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).