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

C17H21N3O — CID 113016947

IUPACN-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)C(C)C)cn2)cc1C
InChIInChI=1S/C17H21N3O/c1-11(2)17(21)20-15-7-8-16(18-10-15)19-14-6-5-12(3)13(4)9-14/h5-11H,1-4H3,(H,18,19)(H,20,21)
InChIKeyIWKVDLQSYRILKX-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.04
Rot. Bonds4

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

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide (PubChem CID 113016947) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
PubChem CID113016947
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)C(C)C)cn2)cc1C
InChIInChI=1S/C17H21N3O/c1-11(2)17(21)20-15-7-8-16(18-10-15)19-14-6-5-12(3)13(4)9-14/h5-11H,1-4H3,(H,18,19)(H,20,21)
InChIKeyIWKVDLQSYRILKX-UHFFFAOYSA-N
XLogP4.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113016953
N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
CID 115268625
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide (CID 113016947) is N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide is Cc1ccc(Nc2ccc(NC(=O)C(C)C)cn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is IWKVDLQSYRILKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)17(21)20-15-7-8-16(18-10-15)19-14-6-5-12(3)13(4)9-14/h5-11H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide?
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 4.04, 4 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-methylpropanamide is sourced from PubChem (CID 113016947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).