1-[2-(pyridin-4-ylamino)phenyl]ethanone

C13H12N2O — CID 82536637

IUPAC1-[2-(pyridin-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccncc1
InChIInChI=1S/C13H12N2O/c1-10(16)12-4-2-3-5-13(12)15-11-6-8-14-9-7-11/h2-9H,1H3,(H,14,15)
InChIKeyHOFNFRQQQMJUIG-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(pyridin-4-ylamino)phenyl]ethanone

1-[2-(pyridin-4-ylamino)phenyl]ethanone (PubChem CID 82536637) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[2-(pyridin-4-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(pyridin-4-ylamino)phenyl]ethanone
PubChem CID82536637
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-[2-(pyridin-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccncc1
InChIInChI=1S/C13H12N2O/c1-10(16)12-4-2-3-5-13(12)15-11-6-8-14-9-7-11/h2-9H,1H3,(H,14,15)
InChIKeyHOFNFRQQQMJUIG-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
1-[2-(2-ethynylanilino)phenyl]ethanone
CID 155291748
1-[2-(4-pentylanilino)phenyl]ethanone
CID 155289993
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone
CID 115029518
bis(2-anilinophenyl)methanone
CID 141301141
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2408217
1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
CID 43832784
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
methyl 4-anilinopyridine-3-carboxylate
CID 119016910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-4-ylamino)phenyl]ethanone?
The IUPAC name of 1-[2-(pyridin-4-ylamino)phenyl]ethanone (CID 82536637) is 1-[2-(pyridin-4-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(pyridin-4-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-(pyridin-4-ylamino)phenyl]ethanone is CC(=O)c1ccccc1Nc1ccncc1.
What is the InChIKey of 1-[2-(pyridin-4-ylamino)phenyl]ethanone?
The InChIKey is HOFNFRQQQMJUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10(16)12-4-2-3-5-13(12)15-11-6-8-14-9-7-11/h2-9H,1H3,(H,14,15).
What are the key properties of 1-[2-(pyridin-4-ylamino)phenyl]ethanone?
1-[2-(pyridin-4-ylamino)phenyl]ethanone has a molecular weight of 212.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-4-ylamino)phenyl]ethanone is sourced from PubChem (CID 82536637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).