(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone

C14H21ClN4O — CID 112734555

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2nc(NN)ccc2Cl)C1
InChIInChI=1S/C14H21ClN4O/c1-3-10-5-4-9(2)19(8-10)14(20)13-11(15)6-7-12(17-13)18-16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyMHHLSRDZASYHSV-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.67
Rot. Bonds3

About (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone

(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone (PubChem CID 112734555) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
PubChem CID112734555
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2nc(NN)ccc2Cl)C1
InChIInChI=1S/C14H21ClN4O/c1-3-10-5-4-9(2)19(8-10)14(20)13-11(15)6-7-12(17-13)18-16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyMHHLSRDZASYHSV-UHFFFAOYSA-N
XLogP2.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone (CID 112734555) is (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone is CCC1CCC(C)N(C(=O)c2nc(NN)ccc2Cl)C1.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The InChIKey is MHHLSRDZASYHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-3-10-5-4-9(2)19(8-10)14(20)13-11(15)6-7-12(17-13)18-16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112734555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).