N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide

C13H12N2OS — CID 903281

IUPACN-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2cccs2)n1
InChIInChI=1S/C13H12N2OS/c1-10-4-2-6-12(14-10)15-13(16)8-7-11-5-3-9-17-11/h2-9H,1H3,(H,14,15,16)
InChIKeyNDCQNOSPHOIKSV-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.10
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide

N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 903281) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID903281
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2cccs2)n1
InChIInChI=1S/C13H12N2OS/c1-10-4-2-6-12(14-10)15-13(16)8-7-11-5-3-9-17-11/h2-9H,1H3,(H,14,15,16)
InChIKeyNDCQNOSPHOIKSV-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 25061370
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1114505
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 30859343
(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122356561

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide (CID 903281) is N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide is Cc1cccc(NC(=O)C=Cc2cccs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NDCQNOSPHOIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-10-4-2-6-12(14-10)15-13(16)8-7-11-5-3-9-17-11/h2-9H,1H3,(H,14,15,16).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide?
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 244.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 903281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).