N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide

C16H10IN3O4 — CID 2979366

IUPACN-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C16H10IN3O4/c17-10-5-8-15(18-9-10)19-16(21)14-7-6-13(24-14)11-3-1-2-4-12(11)20(22)23/h1-9H,(H,18,19,21)
InChIKeyVJXJSSABDRTWEY-UHFFFAOYSA-N
MW435.18 g/mol
LogP4.11
Rot. Bonds4

About N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 2979366) has the molecular formula C16H10IN3O4 and a molecular weight of 435.18 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID2979366
Molecular FormulaC16H10IN3O4
Molecular Weight435.18 g/mol
Exact Mass434.97
IUPAC NameN-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C16H10IN3O4/c17-10-5-8-15(18-9-10)19-16(21)14-7-6-13(24-14)11-3-1-2-4-12(11)20(22)23/h1-9H,(H,18,19,21)
InChIKeyVJXJSSABDRTWEY-UHFFFAOYSA-N
XLogP4.11
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 924587
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-(5-iodo-2-pyridinyl)-5-methylfuran-2-carboxamide
CID 65098645
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1243960
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
CID 17219688
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1294332

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 2979366) is N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(I)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is VJXJSSABDRTWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IN3O4/c17-10-5-8-15(18-9-10)19-16(21)14-7-6-13(24-14)11-3-1-2-4-12(11)20(22)23/h1-9H,(H,18,19,21).
What are the key properties of N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 435.18 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2979366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).