1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone

C10H15N3O — CID 70457829

IUPAC1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CNCCN)cn1
InChIInChI=1S/C10H15N3O/c1-8(14)10-3-2-9(7-13-10)6-12-5-4-11/h2-3,7,12H,4-6,11H2,1H3
InChIKeyUDAQHXUPCILYNM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.33
Rot. Bonds5

About 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone

1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone (PubChem CID 70457829) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone
PubChem CID70457829
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CNCCN)cn1
InChIInChI=1S/C10H15N3O/c1-8(14)10-3-2-9(7-13-10)6-12-5-4-11/h2-3,7,12H,4-6,11H2,1H3
InChIKeyUDAQHXUPCILYNM-UHFFFAOYSA-N
XLogP0.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-[(2-aminoethylamino)methyl]-2-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

1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone
CID 145488759
5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 150999370
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
CID 170110433
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
2-(6-acetyl-3-pyridinyl)-1-phenylethanone
CID 159930313
ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
CID 145198308
acetic acid;N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329851
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone (CID 70457829) is 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone is CC(=O)c1ccc(CNCCN)cn1.
What is the InChIKey of 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone?
The InChIKey is UDAQHXUPCILYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(14)10-3-2-9(7-13-10)6-12-5-4-11/h2-3,7,12H,4-6,11H2,1H3.
What are the key properties of 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone?
1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone has a molecular weight of 193.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 70457829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).