2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide

C18H20N2O2 — CID 146673955

IUPAC2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide
SMILESCc1ccc(C(=O)c2cnccc2NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-12-5-7-13(8-6-12)16(21)14-11-19-10-9-15(14)20-17(22)18(2,3)4/h5-11H,1-4H3,(H,19,20,22)
InChIKeyXUZLRTOOXADRET-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.61
Rot. Bonds3

About 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide

2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide (PubChem CID 146673955) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide
PubChem CID146673955
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide
SMILESCc1ccc(C(=O)c2cnccc2NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-12-5-7-13(8-6-12)16(21)14-11-19-10-9-15(14)20-17(22)18(2,3)4/h5-11H,1-4H3,(H,19,20,22)
InChIKeyXUZLRTOOXADRET-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
methyl 2-[4-(2,2-dimethylpropanoylamino)-3-pyridinyl]-2-oxoacetate
CID 176957322
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
[4-(2,2-dimethylpropanoylamino)-3-pyridinyl] 2-oxobutanoate
CID 90842056
ethyl 2-[4-(2,2-dimethylpropanoylamino)-3-pyridinyl]-2-oxoacetate;1-(4-fluorophenyl)ethanone;2-(4-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;methane
CID 157427656
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide (CID 146673955) is 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide is Cc1ccc(C(=O)c2cnccc2NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide?
The InChIKey is XUZLRTOOXADRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-5-7-13(8-6-12)16(21)14-11-19-10-9-15(14)20-17(22)18(2,3)4/h5-11H,1-4H3,(H,19,20,22).
What are the key properties of 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide?
2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 146673955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).