N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide

C12H16ClF3N4O — CID 143231366

IUPACN-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide
SMILESCCC(CCC(F)(F)F)(NN)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H16ClF3N4O/c1-2-11(20-17,5-6-12(14,15)16)10(21)19-8-3-4-9(13)18-7-8/h3-4,7,20H,2,5-6,17H2,1H3,(H,19,21)
InChIKeyBBDMFUHGIVSNHG-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.63
Rot. Bonds6

About N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide

N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide (PubChem CID 143231366) has the molecular formula C12H16ClF3N4O and a molecular weight of 324.73 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide
PubChem CID143231366
Molecular FormulaC12H16ClF3N4O
Molecular Weight324.73 g/mol
Exact Mass324.10
IUPAC NameN-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide
SMILESCCC(CCC(F)(F)F)(NN)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H16ClF3N4O/c1-2-11(20-17,5-6-12(14,15)16)10(21)19-8-3-4-9(13)18-7-8/h3-4,7,20H,2,5-6,17H2,1H3,(H,19,21)
InChIKeyBBDMFUHGIVSNHG-UHFFFAOYSA-N
XLogP2.63
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide (CID 143231366) is N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide is CCC(CCC(F)(F)F)(NN)C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide?
The InChIKey is BBDMFUHGIVSNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4O/c1-2-11(20-17,5-6-12(14,15)16)10(21)19-8-3-4-9(13)18-7-8/h3-4,7,20H,2,5-6,17H2,1H3,(H,19,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide?
N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide has a molecular weight of 324.73 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide is sourced from PubChem (CID 143231366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).