4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide

C18H20N2O2 — CID 24538133

IUPAC4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
SMILESCc1ccnc(NC(=O)CCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-12-4-5-14(3)15(10-12)16(21)6-7-18(22)20-17-11-13(2)8-9-19-17/h4-5,8-11H,6-7H2,1-3H3,(H,19,20,22)
InChIKeyYKXWYSAWQIXCDO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.61
Rot. Bonds5

About 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide (PubChem CID 24538133) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
PubChem CID24538133
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
SMILESCc1ccnc(NC(=O)CCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-12-4-5-14(3)15(10-12)16(21)6-7-18(22)20-17-11-13(2)8-9-19-17/h4-5,8-11H,6-7H2,1-3H3,(H,19,20,22)
InChIKeyYKXWYSAWQIXCDO-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate
CID 46427204
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
5-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-2,4-dimethylbenzoic acid
CID 120689942
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 119628325
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 120687054
4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide
CID 111428870

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide (CID 24538133) is 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide is Cc1ccnc(NC(=O)CCC(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide?
The InChIKey is YKXWYSAWQIXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-4-5-14(3)15(10-12)16(21)6-7-18(22)20-17-11-13(2)8-9-19-17/h4-5,8-11H,6-7H2,1-3H3,(H,19,20,22).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide has a molecular weight of 296.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 24538133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).