1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone

C15H17N3O — CID 116577417

IUPAC1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1cnccc1N
InChIInChI=1S/C15H17N3O/c16-7-5-11-3-1-2-4-13(11)15(19)9-12-10-18-8-6-14(12)17/h1-4,6,8,10H,5,7,9,16H2,(H2,17,18)
InChIKeyBTNBSSCHKUEPFS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone

1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone (PubChem CID 116577417) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
PubChem CID116577417
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1cnccc1N
InChIInChI=1S/C15H17N3O/c16-7-5-11-3-1-2-4-13(11)15(19)9-12-10-18-8-6-14(12)17/h1-4,6,8,10H,5,7,9,16H2,(H2,17,18)
InChIKeyBTNBSSCHKUEPFS-UHFFFAOYSA-N
XLogP1.59
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260
2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 116610606
2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789293
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
CID 116577339
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
CID 116577372
4-(2-aminoethyl)pyridin-3-amine
CID 55254309
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone (CID 116577417) is 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone is NCCc1ccccc1C(=O)Cc1cnccc1N.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone?
The InChIKey is BTNBSSCHKUEPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-7-5-11-3-1-2-4-13(11)15(19)9-12-10-18-8-6-14(12)17/h1-4,6,8,10H,5,7,9,16H2,(H2,17,18).
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone?
1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone is sourced from PubChem (CID 116577417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).