N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide

C13H14N2OS — CID 58094790

IUPACN-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(C)c(C)s2)ccn1
InChIInChI=1S/C13H14N2OS/c1-8-6-12(17-9(8)2)11-4-5-14-13(7-11)15-10(3)16/h4-7H,1-3H3,(H,14,15,16)
InChIKeyQUMNQLBVUGWUIO-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.39
Rot. Bonds2

About N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide

N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide (PubChem CID 58094790) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
PubChem CID58094790
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(C)c(C)s2)ccn1
InChIInChI=1S/C13H14N2OS/c1-8-6-12(17-9(8)2)11-4-5-14-13(7-11)15-10(3)16/h4-7H,1-3H3,(H,14,15,16)
InChIKeyQUMNQLBVUGWUIO-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-[4-[2-methyl-6-(4-methyl-3-pyridinyl)-4-pyridinyl]-2-pyridinyl]acetamide
CID 149084238
N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
CID 56971355
2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
CID 79802588
[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
CID 121363350
(E)-3-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822077
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
CID 138525024
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 167981545
N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293529
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide (CID 58094790) is N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(C)c(C)s2)ccn1.
What is the InChIKey of N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide?
The InChIKey is QUMNQLBVUGWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-6-12(17-9(8)2)11-4-5-14-13(7-11)15-10(3)16/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide?
N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide has a molecular weight of 246.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 58094790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).