N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide

C13H12N2O2S — CID 54276812

IUPACN-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide
SMILESCc1ccsc1CC(=O)Nc1ncccc1C=O
InChIInChI=1S/C13H12N2O2S/c1-9-4-6-18-11(9)7-12(17)15-13-10(8-16)3-2-5-14-13/h2-6,8H,7H2,1H3,(H,14,15,17)
InChIKeyHIBLDBFESFXHGQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.45
Rot. Bonds4

About N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide

N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide (PubChem CID 54276812) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide
PubChem CID54276812
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide
SMILESCc1ccsc1CC(=O)Nc1ncccc1C=O
InChIInChI=1S/C13H12N2O2S/c1-9-4-6-18-11(9)7-12(17)15-13-10(8-16)3-2-5-14-13/h2-6,8H,7H2,1H3,(H,14,15,17)
InChIKeyHIBLDBFESFXHGQ-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide
CID 115273730
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204
2-(ethylamino)pyridine-3-carbaldehyde
CID 15561922
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763
N-(3-hydroxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 110462769
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
[(3-formyl-2-pyridinyl)amino]-methylazanide;rubidium(1+)
CID 170788982
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
N-(3-methyl-2-pyridinyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 35033079
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46989448

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide?
The IUPAC name of N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide (CID 54276812) is N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide is Cc1ccsc1CC(=O)Nc1ncccc1C=O.
What is the InChIKey of N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide?
The InChIKey is HIBLDBFESFXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9-4-6-18-11(9)7-12(17)15-13-10(8-16)3-2-5-14-13/h2-6,8H,7H2,1H3,(H,14,15,17).
What are the key properties of N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide?
N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide has a molecular weight of 260.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 54276812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).