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

C14H14N2O — CID 90831497

IUPAC1-(3-anilino-4-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccncc1Nc1ccccc1
InChIInChI=1S/C14H14N2O/c1-2-14(17)12-8-9-15-10-13(12)16-11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChIKeyMACCCWGUMMOZNM-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.42
Rot. Bonds4

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

1-(3-anilino-4-pyridinyl)propan-1-one (PubChem CID 90831497) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(3-anilino-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(3-anilino-4-pyridinyl)propan-1-one
PubChem CID90831497
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(3-anilino-4-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccncc1Nc1ccccc1
InChIInChI=1S/C14H14N2O/c1-2-14(17)12-8-9-15-10-13(12)16-11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChIKeyMACCCWGUMMOZNM-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-anilinopyridine-4-carboxylate
CID 14221935
3-anilinopyridine-4-carbothioamide
CID 114287995
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
1-(6-anilino-4-methyl-3-pyridinyl)propan-1-one
CID 102545372
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463
3-(2-phenylanilino)pyridine-4-carboxylic acid
CID 71766720
1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
CID 71217389
4-(3-anilino-4-pyridinyl)benzamide
CID 175853100
3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
CID 107600894
3-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 146235862
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
3-chloro-N-phenylpyridin-4-amine
CID 53468349

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-4-pyridinyl)propan-1-one?
The IUPAC name of 1-(3-anilino-4-pyridinyl)propan-1-one (CID 90831497) is 1-(3-anilino-4-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(3-anilino-4-pyridinyl)propan-1-one?
The canonical SMILES for 1-(3-anilino-4-pyridinyl)propan-1-one is CCC(=O)c1ccncc1Nc1ccccc1.
What is the InChIKey of 1-(3-anilino-4-pyridinyl)propan-1-one?
The InChIKey is MACCCWGUMMOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-14(17)12-8-9-15-10-13(12)16-11-6-4-3-5-7-11/h3-10,16H,2H2,1H3.
What are the key properties of 1-(3-anilino-4-pyridinyl)propan-1-one?
1-(3-anilino-4-pyridinyl)propan-1-one has a molecular weight of 226.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-4-pyridinyl)propan-1-one is sourced from PubChem (CID 90831497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).