N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide

C14H14N2O2S — CID 18106997

IUPACN-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1cccnc1NC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C14H14N2O2S/c1-10-4-2-8-15-14(10)16-13(18)7-6-11(17)12-5-3-9-19-12/h2-5,8-9H,6-7H2,1H3,(H,15,16,18)
InChIKeyZVALBOKGSOMKHA-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.05
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 18106997) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID18106997
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1cccnc1NC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C14H14N2O2S/c1-10-4-2-8-15-14(10)16-13(18)7-6-11(17)12-5-3-9-19-12/h2-5,8-9H,6-7H2,1H3,(H,15,16,18)
InChIKeyZVALBOKGSOMKHA-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 18106997) is N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1cccnc1NC(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is ZVALBOKGSOMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-4-2-8-15-14(10)16-13(18)7-6-11(17)12-5-3-9-19-12/h2-5,8-9H,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 274.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).