N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide

C16H15ClN4O2 — CID 110026388

IUPACN'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide
SMILESCC(O)(CC(=O)NNc1cc(C#N)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C16H15ClN4O2/c1-16(23,12-5-3-2-4-6-12)9-15(22)21-20-14-8-11(10-18)7-13(17)19-14/h2-8,23H,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyNLVDGTDKYSMEGH-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.35
Rot. Bonds5

About N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide

N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide (PubChem CID 110026388) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide
PubChem CID110026388
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide
SMILESCC(O)(CC(=O)NNc1cc(C#N)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C16H15ClN4O2/c1-16(23,12-5-3-2-4-6-12)9-15(22)21-20-14-8-11(10-18)7-13(17)19-14/h2-8,23H,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyNLVDGTDKYSMEGH-UHFFFAOYSA-N
XLogP2.35
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide?
The IUPAC name of N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide (CID 110026388) is N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide.
What is the SMILES notation for N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide?
The canonical SMILES for N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide is CC(O)(CC(=O)NNc1cc(C#N)cc(Cl)n1)c1ccccc1.
What is the InChIKey of N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide?
The InChIKey is NLVDGTDKYSMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-16(23,12-5-3-2-4-6-12)9-15(22)21-20-14-8-11(10-18)7-13(17)19-14/h2-8,23H,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide?
N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide has a molecular weight of 330.78 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-4-cyano-2-pyridinyl)-3-hydroxy-3-phenylbutanehydrazide is sourced from PubChem (CID 110026388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).