azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone

C13H19ClN4O — CID 55052791

IUPACazocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/C13H19ClN4O/c14-10-6-7-11(17-15)16-12(10)13(19)18-8-4-2-1-3-5-9-18/h6-7H,1-5,8-9,15H2,(H,16,17)
InChIKeyUMAOLGQDIKILQW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.43
Rot. Bonds2

About azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone

azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone (PubChem CID 55052791) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
PubChem CID55052791
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Nameazocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/C13H19ClN4O/c14-10-6-7-11(17-15)16-12(10)13(19)18-8-4-2-1-3-5-9-18/h6-7H,1-5,8-9,15H2,(H,16,17)
InChIKeyUMAOLGQDIKILQW-UHFFFAOYSA-N
XLogP2.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.43
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'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 63162277
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62242899
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
CID 62241557
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62248839
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538715
(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62247878
(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086990
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
3-chloro-6-(piperidin-1-ylamino)pyridine-2-carboxylic acid
CID 83016199
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
3-chloro-N-(1-cyclohexylethyl)-6-hydrazinylpyridine-2-carboxamide
CID 62406912
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone (CID 55052791) is azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone is NNc1ccc(Cl)c(C(=O)N2CCCCCCC2)n1.
What is the InChIKey of azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is UMAOLGQDIKILQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-10-6-7-11(17-15)16-12(10)13(19)18-8-4-2-1-3-5-9-18/h6-7H,1-5,8-9,15H2,(H,16,17).
What are the key properties of azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 55052791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).