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

C14H14N2O — CID 12523109

IUPAC3-anilino-1-pyridin-2-ylpropan-1-one
SMILESO=C(CCNc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N2O/c17-14(13-8-4-5-10-16-13)9-11-15-12-6-2-1-3-7-12/h1-8,10,15H,9,11H2
InChIKeyPKXVSNBWBFPGMI-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.77
Rot. Bonds5

About 3-anilino-1-pyridin-2-ylpropan-1-one

3-anilino-1-pyridin-2-ylpropan-1-one (PubChem CID 12523109) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-anilino-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-anilino-1-pyridin-2-ylpropan-1-one
PubChem CID12523109
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-anilino-1-pyridin-2-ylpropan-1-one
SMILESO=C(CCNc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N2O/c17-14(13-8-4-5-10-16-13)9-11-15-12-6-2-1-3-7-12/h1-8,10,15H,9,11H2
InChIKeyPKXVSNBWBFPGMI-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one
CID 70926545
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
CID 90354643
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151
1-pyridin-2-ylhexan-1-one
CID 556347
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
gadolinium;pyridine-2-carboxylic acid
CID 175231422

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-anilino-1-pyridin-2-ylpropan-1-one (CID 12523109) is 3-anilino-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-anilino-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-anilino-1-pyridin-2-ylpropan-1-one is O=C(CCNc1ccccc1)c1ccccn1.
What is the InChIKey of 3-anilino-1-pyridin-2-ylpropan-1-one?
The InChIKey is PKXVSNBWBFPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(13-8-4-5-10-16-13)9-11-15-12-6-2-1-3-7-12/h1-8,10,15H,9,11H2.
What are the key properties of 3-anilino-1-pyridin-2-ylpropan-1-one?
3-anilino-1-pyridin-2-ylpropan-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 12523109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).