5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide

C14H15N3O3S — CID 78859558

IUPAC5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)n1
InChIInChI=1S/C14H15N3O3S/c1-7-5-8(2)15-9(3)13(7)16-14(18)12-6-11(17(19)20)10(4)21-12/h5-6H,1-4H3,(H,16,18)
InChIKeyQAYVUPPCVTYERU-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.54
Rot. Bonds3

About 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide

5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 78859558) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID78859558
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)n1
InChIInChI=1S/C14H15N3O3S/c1-7-5-8(2)15-9(3)13(7)16-14(18)12-6-11(17(19)20)10(4)21-12/h5-6H,1-4H3,(H,16,18)
InChIKeyQAYVUPPCVTYERU-UHFFFAOYSA-N
XLogP3.54
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.54
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'}

Analyze 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 46412654
2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874217
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrothiophene-2-carboxamide
CID 78852024
N-[3-(carbamoylamino)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 31814497
2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 75476904
(E)-3-(2-nitrophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837444
N-benzo[e][1,3]benzothiazol-2-yl-5-methyl-4-nitrothiophene-2-carboxamide
CID 39299357
5-methyl-4-nitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 39683107
N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119628583
N-[2-(methoxymethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 47047327
N-[2-(ethylaminomethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 119439963

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide (CID 78859558) is 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)n1.
What is the InChIKey of 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is QAYVUPPCVTYERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-5-8(2)15-9(3)13(7)16-14(18)12-6-11(17(19)20)10(4)21-12/h5-6H,1-4H3,(H,16,18).
What are the key properties of 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide?
5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 78859558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).