1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone

C14H15N3O — CID 82258214

IUPAC1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone
SMILESNc1ccc(C(=O)CNCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O/c15-13-5-3-12(4-6-13)14(18)10-17-9-11-2-1-7-16-8-11/h1-8,17H,9-10,15H2
InChIKeyFGQYHYNJVTYEGO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone

1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone (PubChem CID 82258214) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone
PubChem CID82258214
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone
SMILESNc1ccc(C(=O)CNCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O/c15-13-5-3-12(4-6-13)14(18)10-17-9-11-2-1-7-16-8-11/h1-8,17H,9-10,15H2
InChIKeyFGQYHYNJVTYEGO-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488
1-(3-amino-4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258581
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
1-(4-methylphenyl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 94270981
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
3-methyl-1-(pyridin-3-ylmethylamino)butan-2-one;molecular hydrogen
CID 143466705
2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone (CID 82258214) is 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone is Nc1ccc(C(=O)CNCc2cccnc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
The InChIKey is FGQYHYNJVTYEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13-5-3-12(4-6-13)14(18)10-17-9-11-2-1-7-16-8-11/h1-8,17H,9-10,15H2.
What are the key properties of 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone has a molecular weight of 241.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone is sourced from PubChem (CID 82258214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).