5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide

C13H19ClN4O2 — CID 114106885

IUPAC5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide
SMILESCCC1OCCC1CNC(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H19ClN4O2/c1-2-11-8(3-4-20-11)6-17-13(19)9-5-10(14)12(18-15)16-7-9/h5,7-8,11H,2-4,6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyOZSSCKXQAPRKBV-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.57
Rot. Bonds5

About 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide

5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide (PubChem CID 114106885) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide
PubChem CID114106885
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide
SMILESCCC1OCCC1CNC(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H19ClN4O2/c1-2-11-8(3-4-20-11)6-17-13(19)9-5-10(14)12(18-15)16-7-9/h5,7-8,11H,2-4,6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyOZSSCKXQAPRKBV-UHFFFAOYSA-N
XLogP1.57
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.57
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 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide (CID 114106885) is 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide is CCC1OCCC1CNC(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is OZSSCKXQAPRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-2-11-8(3-4-20-11)6-17-13(19)9-5-10(14)12(18-15)16-7-9/h5,7-8,11H,2-4,6,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide?
5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 114106885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).