1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one

C15H16N2O — CID 71217389

IUPAC1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(C)nc1Nc1ccccc1
InChIInChI=1S/C15H16N2O/c1-3-14(18)13-10-9-11(2)16-15(13)17-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyFHQXBNCMKWFQCJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one

1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one (PubChem CID 71217389) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
PubChem CID71217389
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(C)nc1Nc1ccccc1
InChIInChI=1S/C15H16N2O/c1-3-14(18)13-10-9-11(2)16-15(13)17-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyFHQXBNCMKWFQCJ-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 175617205
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
CID 102545372
1-(3-anilino-4-pyridinyl)propan-1-one
CID 90831497
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463
N-(2-anilino-6-methoxy-3-pyridinyl)propanamide
CID 110178821
4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
3,6-dimethyl-N-phenylpyrazin-2-amine
CID 518389
5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 118870853

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one (CID 71217389) is 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one is CCC(=O)c1ccc(C)nc1Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is FHQXBNCMKWFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-14(18)13-10-9-11(2)16-15(13)17-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one?
1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 240.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 71217389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).