(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone

C12H17ClN4O2 — CID 62241557

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nc(NN)ccc2Cl)CC1
InChIInChI=1S/C12H17ClN4O2/c1-19-8-4-6-17(7-5-8)12(18)11-9(13)2-3-10(15-11)16-14/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyJDZHQQIZSOFFHO-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.27
Rot. Bonds3

About (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone

(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 62241557) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID62241557
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nc(NN)ccc2Cl)CC1
InChIInChI=1S/C12H17ClN4O2/c1-19-8-4-6-17(7-5-8)12(18)11-9(13)2-3-10(15-11)16-14/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyJDZHQQIZSOFFHO-UHFFFAOYSA-N
XLogP1.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.27
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'}

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Related Compounds

(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62242899
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538715
azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 55052791
8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 63162277
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62248839
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 62165385
(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
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone (CID 62241557) is (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2nc(NN)ccc2Cl)CC1.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is JDZHQQIZSOFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-19-8-4-6-17(7-5-8)12(18)11-9(13)2-3-10(15-11)16-14/h2-3,8H,4-7,14H2,1H3,(H,15,16).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 284.75 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydrazinyl-2-pyridinyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62241557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).