2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

C12H17ClN4O2 — CID 102870600

IUPAC2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)N(CCO)C2CCC2)cc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c13-10-6-8(7-11(15-10)16-14)12(19)17(4-5-18)9-2-1-3-9/h6-7,9,18H,1-5,14H2,(H,15,16)
InChIKeyGICRANQUFVUMOJ-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.01
Rot. Bonds5

About 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 102870600) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID102870600
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)N(CCO)C2CCC2)cc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c13-10-6-8(7-11(15-10)16-14)12(19)17(4-5-18)9-2-1-3-9/h6-7,9,18H,1-5,14H2,(H,15,16)
InChIKeyGICRANQUFVUMOJ-UHFFFAOYSA-N
XLogP1.01
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (CID 102870600) is 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is NNc1cc(C(=O)N(CCO)C2CCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is GICRANQUFVUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-10-6-8(7-11(15-10)16-14)12(19)17(4-5-18)9-2-1-3-9/h6-7,9,18H,1-5,14H2,(H,15,16).
What are the key properties of 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 102870600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).