N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C15H16N2O2S — CID 35032439

IUPACN-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ncccc2C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-4-3-9-16-15(10)17-14(19)8-6-12(18)13-7-5-11(2)20-13/h3-5,7,9H,6,8H2,1-2H3,(H,16,17,19)
InChIKeyMQXZAGRZPZSPHN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.36
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 35032439) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID35032439
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ncccc2C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-4-3-9-16-15(10)17-14(19)8-6-12(18)13-7-5-11(2)20-13/h3-5,7,9H,6,8H2,1-2H3,(H,16,17,19)
InChIKeyMQXZAGRZPZSPHN-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.36
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-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 35032439) is N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ncccc2C)s1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is MQXZAGRZPZSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-4-3-9-16-15(10)17-14(19)8-6-12(18)13-7-5-11(2)20-13/h3-5,7,9H,6,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 288.37 g/mol, XLogP of 3.36, 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-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 35032439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).