1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide

C12H17Cl2N5O — CID 102761835

IUPAC1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N5O/c1-6-2-3-7(10(15)20)5-19(6)12-9(14)4-8(13)11(17-12)18-16/h4,6-7H,2-3,5,16H2,1H3,(H2,15,20)(H,17,18)
InChIKeyZJWYHGUPAVAXSP-UHFFFAOYSA-N
MW318.21 g/mol
LogP1.76
Rot. Bonds3

About 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide

1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide (PubChem CID 102761835) has the molecular formula C12H17Cl2N5O and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
PubChem CID102761835
Molecular FormulaC12H17Cl2N5O
Molecular Weight318.21 g/mol
Exact Mass317.08
IUPAC Name1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N5O/c1-6-2-3-7(10(15)20)5-19(6)12-9(14)4-8(13)11(17-12)18-16/h4,6-7H,2-3,5,16H2,1H3,(H2,15,20)(H,17,18)
InChIKeyZJWYHGUPAVAXSP-UHFFFAOYSA-N
XLogP1.76
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 51.76
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide (CID 102761835) is 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is ZJWYHGUPAVAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N5O/c1-6-2-3-7(10(15)20)5-19(6)12-9(14)4-8(13)11(17-12)18-16/h4,6-7H,2-3,5,16H2,1H3,(H2,15,20)(H,17,18).
What are the key properties of 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide?
1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 318.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 102761835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).