5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide

C11H9N3O3S — CID 2971382

IUPAC5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cs1
InChIInChI=1S/C11H9N3O3S/c1-7-4-8(6-18-7)11(15)13-10-3-2-9(5-12-10)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyJNMNZVXYIVPOPJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.61
Rot. Bonds3

About 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide

5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide (PubChem CID 2971382) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide
PubChem CID2971382
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cs1
InChIInChI=1S/C11H9N3O3S/c1-7-4-8(6-18-7)11(15)13-10-3-2-9(5-12-10)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyJNMNZVXYIVPOPJ-UHFFFAOYSA-N
XLogP2.61
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide (CID 2971382) is 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cs1.
What is the InChIKey of 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide?
The InChIKey is JNMNZVXYIVPOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-7-4-8(6-18-7)11(15)13-10-3-2-9(5-12-10)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide?
5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-nitro-2-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 2971382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).