N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide

C12H12N2OS — CID 2811863

IUPACN-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCCc1ccnc(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2OS/c1-2-9-5-6-13-11(8-9)14-12(15)10-4-3-7-16-10/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyXMGSGEBTYXZJPN-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.96
Rot. Bonds3

About N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide

N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 2811863) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID2811863
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCCc1ccnc(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2OS/c1-2-9-5-6-13-11(8-9)14-12(15)10-4-3-7-16-10/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyXMGSGEBTYXZJPN-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide (CID 2811863) is N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide is CCc1ccnc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is XMGSGEBTYXZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-9-5-6-13-11(8-9)14-12(15)10-4-3-7-16-10/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide?
N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 2811863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).