(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone

C14H22N4O — CID 65286887

IUPAC(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccnc(NN)c2)CC1
InChIInChI=1S/C14H22N4O/c1-14(2)5-3-8-18(9-6-14)13(19)11-4-7-16-12(10-11)17-15/h4,7,10H,3,5-6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyUCEDRUBAJGDTQJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.02
Rot. Bonds2

About (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone

(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 65286887) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
PubChem CID65286887
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccnc(NN)c2)CC1
InChIInChI=1S/C14H22N4O/c1-14(2)5-3-8-18(9-6-14)13(19)11-4-7-16-12(10-11)17-15/h4,7,10H,3,5-6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyUCEDRUBAJGDTQJ-UHFFFAOYSA-N
XLogP2.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone 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-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838
(2-hydrazinyl-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969077
2-hydrazinyl-N-(1-methylcyclopentyl)pyridine-4-carboxamide
CID 64688697
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-hydrazinyl-4-pyridinyl)methanone
CID 63155013
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
(2-hydrazinyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 62235741
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone (CID 65286887) is (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone is CC1(C)CCCN(C(=O)c2ccnc(NN)c2)CC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is UCEDRUBAJGDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2)5-3-8-18(9-6-14)13(19)11-4-7-16-12(10-11)17-15/h4,7,10H,3,5-6,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 262.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 65286887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).