1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone

C12H17N3O — CID 116558765

IUPAC1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
SMILESNc1ccncc1CC(=O)C1(N)CCCC1
InChIInChI=1S/C12H17N3O/c13-10-3-6-15-8-9(10)7-11(16)12(14)4-1-2-5-12/h3,6,8H,1-2,4-5,7,14H2,(H2,13,15)
InChIKeyQCUQWWUWOLSUEC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds3

About 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone

1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone (PubChem CID 116558765) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
PubChem CID116558765
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
SMILESNc1ccncc1CC(=O)C1(N)CCCC1
InChIInChI=1S/C12H17N3O/c13-10-3-6-15-8-9(10)7-11(16)12(14)4-1-2-5-12/h3,6,8H,1-2,4-5,7,14H2,(H2,13,15)
InChIKeyQCUQWWUWOLSUEC-UHFFFAOYSA-N
XLogP1.05
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-aminocyclopentyl)-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-(1-hydroxycyclopentyl)ethanone
CID 103447755
2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569400
2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750361
8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol
CID 114819310
2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
CID 64981791
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116579224
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475
(4-amino-3-pyridinyl)-(1-hydroxycyclopentyl)methanone
CID 103447715
1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588569
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone?
The IUPAC name of 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone (CID 116558765) is 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone is Nc1ccncc1CC(=O)C1(N)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone?
The InChIKey is QCUQWWUWOLSUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-3-6-15-8-9(10)7-11(16)12(14)4-1-2-5-12/h3,6,8H,1-2,4-5,7,14H2,(H2,13,15).
What are the key properties of 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone?
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone is sourced from PubChem (CID 116558765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).