1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone

C14H15N3O — CID 116555449

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
SMILESCc1cnc(N)c(C(=O)CNc2ccccc2)c1
InChIInChI=1S/C14H15N3O/c1-10-7-12(14(15)17-8-10)13(18)9-16-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3,(H2,15,17)
InChIKeyLMYUDIAAHBVZAD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.27
Rot. Bonds4

About 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone

1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone (PubChem CID 116555449) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
PubChem CID116555449
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
SMILESCc1cnc(N)c(C(=O)CNc2ccccc2)c1
InChIInChI=1S/C14H15N3O/c1-10-7-12(14(15)17-8-10)13(18)9-16-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3,(H2,15,17)
InChIKeyLMYUDIAAHBVZAD-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
CID 66139550
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
CID 65130731
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
CID 116591054
1-(2-acetyl-3-aminophenyl)-2-anilinoethanone
CID 163542838
1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
CID 64558684
2-anilino-1-(2-chlorophenyl)ethanone
CID 116555252
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
2-(4-methylanilino)-1-phenylethanone
CID 4230722

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone (CID 116555449) is 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone is Cc1cnc(N)c(C(=O)CNc2ccccc2)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone?
The InChIKey is LMYUDIAAHBVZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-7-12(14(15)17-8-10)13(18)9-16-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3,(H2,15,17).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone?
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone has a molecular weight of 241.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone is sourced from PubChem (CID 116555449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).