thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate

C16H16N2O3S — CID 71988272

IUPACthiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
SMILESO=C(OCc1cccs1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C16H16N2O3S/c19-15(18-8-1-2-9-18)13-6-3-7-14(17-13)16(20)21-11-12-5-4-10-22-12/h3-7,10H,1-2,8-9,11H2
InChIKeyNTTZCEGJYAGJIE-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.74
Rot. Bonds4

About thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate

thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate (PubChem CID 71988272) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
PubChem CID71988272
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Namethiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
SMILESO=C(OCc1cccs1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C16H16N2O3S/c19-15(18-8-1-2-9-18)13-6-3-7-14(17-13)16(20)21-11-12-5-4-10-22-12/h3-7,10H,1-2,8-9,11H2
InChIKeyNTTZCEGJYAGJIE-UHFFFAOYSA-N
XLogP2.74
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 648676
2-Methyl-4-(2-morpholin-4-yl-2-oxo-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652825
4-Diethylcarbamoylmethyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438943
methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3237232
methyl 3-[2-(morpholinocarbonyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
CID 5185926
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503751
methyl 3-[2-(2-morpholino-2-oxoacetyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
CID 2767923
Bis[2-oxo-2-(2-thienyl)ethyl] 2,6-pyridinedicarboxylate
CID 3154665
Methyl 4-[2-(methylanilino)-2-oxoethyl]-4H-thieno[3,2-B]pyrrole-5-carboxylate
CID 6623335
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 24686989
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
Methyl 4-{2-[4-fluoro(methyl)anilino]-1-methyl-2-oxoethyl}-4H-thieno[3,2-B]pyrrole-5-carboxylate
CID 6625330

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate (CID 71988272) is thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate is O=C(OCc1cccs1)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
The InChIKey is NTTZCEGJYAGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-15(18-8-1-2-9-18)13-6-3-7-14(17-13)16(20)21-11-12-5-4-10-22-12/h3-7,10H,1-2,8-9,11H2.
What are the key properties of thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate?
thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 71988272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).