N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide

C11H9N3O3S — CID 3662576

IUPACN-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1
InChIInChI=1S/C11H9N3O3S/c1-7-3-2-4-9(12-7)13-11(15)8-5-6-10(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyVTQBNVIAZYHEGM-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.61
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide

N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide (PubChem CID 3662576) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide
PubChem CID3662576
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC NameN-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1
InChIInChI=1S/C11H9N3O3S/c1-7-3-2-4-9(12-7)13-11(15)8-5-6-10(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyVTQBNVIAZYHEGM-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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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 2392876
N-(6-methylpyridin-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 5016899
N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17410313
N-(4-methyl-2-pyridinyl)-5-nitro-2-thiophenecarboxamide
CID 18106904
N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18107203
N-(6-methylpyridin-2-yl)thiophene-2-carboxamide
CID 573775
N-(4,6-dimethylpyridin-2-yl)thiophene-2-carboxamide
CID 765266
N-[(6-methylpyridin-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 817345
N-(5-bromo-6-methyl-2-pyridinyl)-2-thiophenecarboxamide
CID 834138
N-(6-methyl-2-pyridinyl)-3-(2-thienyl)acrylamide
CID 903282
N-(6-methylpyridin-2-yl)-2-(thiophen-2-yl)acetamide
CID 670134
1-[5-[6-(Methylamino)-2-pyridinyl]thiophen-2-yl]ethanone
CID 49791171

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide (CID 3662576) is N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide is Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is VTQBNVIAZYHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-7-3-2-4-9(12-7)13-11(15)8-5-6-10(18-8)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide?
N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-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 N-(6-methyl-2-pyridinyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 3662576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).