2-anilino-1-pyridin-2-ylpropan-1-one

C14H14N2O — CID 160887436

IUPAC2-anilino-1-pyridin-2-ylpropan-1-one
SMILESCC(Nc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C14H14N2O/c1-11(16-12-7-3-2-4-8-12)14(17)13-9-5-6-10-15-13/h2-11,16H,1H3
InChIKeySNVBXVGDIIVWBV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.76
Rot. Bonds4

About 2-anilino-1-pyridin-2-ylpropan-1-one

2-anilino-1-pyridin-2-ylpropan-1-one (PubChem CID 160887436) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-anilino-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-anilino-1-pyridin-2-ylpropan-1-one
PubChem CID160887436
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-anilino-1-pyridin-2-ylpropan-1-one
SMILESCC(Nc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C14H14N2O/c1-11(16-12-7-3-2-4-8-12)14(17)13-9-5-6-10-15-13/h2-11,16H,1H3
InChIKeySNVBXVGDIIVWBV-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-phenylpropan-1-one
CID 577481
2-anilinopropanoic acid;hydrochloride
CID 19096756
N'-phenyl-N-propan-2-ylpyridine-2-carbohydrazide
CID 171975363
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 10493507
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
gadolinium;pyridine-2-carboxylic acid
CID 175231422

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 2-anilino-1-pyridin-2-ylpropan-1-one (CID 160887436) is 2-anilino-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 2-anilino-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 2-anilino-1-pyridin-2-ylpropan-1-one is CC(Nc1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of 2-anilino-1-pyridin-2-ylpropan-1-one?
The InChIKey is SNVBXVGDIIVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(16-12-7-3-2-4-8-12)14(17)13-9-5-6-10-15-13/h2-11,16H,1H3.
What are the key properties of 2-anilino-1-pyridin-2-ylpropan-1-one?
2-anilino-1-pyridin-2-ylpropan-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 160887436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).