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

C15H16N2O2S — CID 18106816

IUPACN-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(C)s2)nc1
InChIInChI=1S/C15H16N2O2S/c1-10-3-7-14(16-9-10)17-15(19)8-5-12(18)13-6-4-11(2)20-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,17,19)
InChIKeyLNEBBFCNPNCSAI-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.36
Rot. Bonds5

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

N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 18106816) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID18106816
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(C)s2)nc1
InChIInChI=1S/C15H16N2O2S/c1-10-3-7-14(16-9-10)17-15(19)8-5-12(18)13-6-4-11(2)20-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,17,19)
InChIKeyLNEBBFCNPNCSAI-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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Related Compounds

N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
CID 78828249
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 35032439
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-[2-(2-methoxyethoxy)-4-methylphenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55950666
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 18106816) is N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)c2ccc(C)s2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is LNEBBFCNPNCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-3-7-14(16-9-10)17-15(19)8-5-12(18)13-6-4-11(2)20-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-(5-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-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 18106816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).