5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one

C10H16N4O — CID 155778321

IUPAC5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one
SMILESCC(=O)CCCN(N)c1ncccc1N
InChIInChI=1S/C10H16N4O/c1-8(15)4-3-7-14(12)10-9(11)5-2-6-13-10/h2,5-6H,3-4,7,11-12H2,1H3
InChIKeyUAMCLUNQEBKOLM-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.71
Rot. Bonds5

About 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one

5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one (PubChem CID 155778321) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one
PubChem CID155778321
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one
SMILESCC(=O)CCCN(N)c1ncccc1N
InChIInChI=1S/C10H16N4O/c1-8(15)4-3-7-14(12)10-9(11)5-2-6-13-10/h2,5-6H,3-4,7,11-12H2,1H3
InChIKeyUAMCLUNQEBKOLM-UHFFFAOYSA-N
XLogP0.71
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one 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

5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane
CID 155778320
2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 79849997
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
N-[2-(dimethylamino)-3-pyridinyl]-5-hydroxypentanamide
CID 79199831
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one?
The IUPAC name of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one (CID 155778321) is 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one.
What is the SMILES notation for 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one?
The canonical SMILES for 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one is CC(=O)CCCN(N)c1ncccc1N.
What is the InChIKey of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one?
The InChIKey is UAMCLUNQEBKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8(15)4-3-7-14(12)10-9(11)5-2-6-13-10/h2,5-6H,3-4,7,11-12H2,1H3.
What are the key properties of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one?
5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one has a molecular weight of 208.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one is sourced from PubChem (CID 155778321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).