N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide

C18H23N3O — CID 113016953

IUPACN-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)C(C)(C)C)cn2)cc1C
InChIInChI=1S/C18H23N3O/c1-12-6-7-14(10-13(12)2)20-16-9-8-15(11-19-16)21-17(22)18(3,4)5/h6-11H,1-5H3,(H,19,20)(H,21,22)
InChIKeyYSJUQFXCKFMAAA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.43
Rot. Bonds3

About N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113016953) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113016953
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)C(C)(C)C)cn2)cc1C
InChIInChI=1S/C18H23N3O/c1-12-6-7-14(10-13(12)2)20-16-9-8-15(11-19-16)21-17(22)18(3,4)5/h6-11H,1-5H3,(H,19,20)(H,21,22)
InChIKeyYSJUQFXCKFMAAA-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
CID 113016947
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113013990

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide (CID 113016953) is N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide is Cc1ccc(Nc2ccc(NC(=O)C(C)(C)C)cn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is YSJUQFXCKFMAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-6-7-14(10-13(12)2)20-16-9-8-15(11-19-16)21-17(22)18(3,4)5/h6-11H,1-5H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113016953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).