N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide

C13H9N3O5 — CID 60804555

IUPACN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9N3O5/c17-8-2-4-9-3-1-5-11(14-9)15-13(18)10-6-7-12(21-10)16(19)20/h1,3,5-7,17H,8H2,(H,14,15,18)
InChIKeyMSIUYDZXUNTEJV-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.18
Rot. Bonds3

About N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide (PubChem CID 60804555) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
PubChem CID60804555
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9N3O5/c17-8-2-4-9-3-1-5-11(14-9)15-13(18)10-6-7-12(21-10)16(19)20/h1,3,5-7,17H,8H2,(H,14,15,18)
InChIKeyMSIUYDZXUNTEJV-UHFFFAOYSA-N
XLogP1.18
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
CID 115683192
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
CID 62276510
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60803494
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 79214082
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79152659
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-nitrofuran-2-carboxamide
CID 60803071
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide (CID 60804555) is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(C#CCO)n1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
The InChIKey is MSIUYDZXUNTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-8-2-4-9-3-1-5-11(14-9)15-13(18)10-6-7-12(21-10)16(19)20/h1,3,5-7,17H,8H2,(H,14,15,18).
What are the key properties of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide has a molecular weight of 287.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 60804555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).