1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one

C15H16N2O — CID 102545372

IUPAC1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cnc(Nc2ccccc2)cc1C
InChIInChI=1S/C15H16N2O/c1-3-14(18)13-10-16-15(9-11(13)2)17-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyWHTQRQCNULVGSY-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.73
Rot. Bonds4

About 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one

1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one (PubChem CID 102545372) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
PubChem CID102545372
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cnc(Nc2ccccc2)cc1C
InChIInChI=1S/C15H16N2O/c1-3-14(18)13-10-16-15(9-11(13)2)17-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyWHTQRQCNULVGSY-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

1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one
CID 159144496
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
CID 71217389
1-(3-anilino-4-pyridinyl)propan-1-one
CID 90831497
N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847150
tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate
CID 102545371
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
5-methyl-N-phenylpyridin-2-amine
CID 12888062
ethyl 3-(4-anilino-6-methylsulfanyl-3-pyridinyl)-3-oxopropanoate
CID 171546919
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521

Frequently Asked Questions

What is the IUPAC name of 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one (CID 102545372) is 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one is CCC(=O)c1cnc(Nc2ccccc2)cc1C.
What is the InChIKey of 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one?
The InChIKey is WHTQRQCNULVGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-14(18)13-10-16-15(9-11(13)2)17-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one?
1-(6-anilino-4-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-(6-anilino-4-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 102545372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).