3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide

C24H18N6O3 — CID 163630022

IUPAC3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc2ccccc2c(NNc2nnc(-c3ccccc3)o2)c1O
InChIInChI=1S/C24H18N6O3/c31-21-19(22(32)26-17-10-12-25-13-11-17)14-16-8-4-5-9-18(16)20(21)27-29-24-30-28-23(33-24)15-6-2-1-3-7-15/h1-14,27,31H,(H,29,30)(H,25,26,32)
InChIKeyHVHGRXAZONUGME-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.68
Rot. Bonds6

About 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide

3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide (PubChem CID 163630022) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide
PubChem CID163630022
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc2ccccc2c(NNc2nnc(-c3ccccc3)o2)c1O
InChIInChI=1S/C24H18N6O3/c31-21-19(22(32)26-17-10-12-25-13-11-17)14-16-8-4-5-9-18(16)20(21)27-29-24-30-28-23(33-24)15-6-2-1-3-7-15/h1-14,27,31H,(H,29,30)(H,25,26,32)
InChIKeyHVHGRXAZONUGME-UHFFFAOYSA-N
XLogP4.68
TPSA125.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide (CID 163630022) is 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide is O=C(Nc1ccncc1)c1cc2ccccc2c(NNc2nnc(-c3ccccc3)o2)c1O.
What is the InChIKey of 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide?
The InChIKey is HVHGRXAZONUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/c31-21-19(22(32)26-17-10-12-25-13-11-17)14-16-8-4-5-9-18(16)20(21)27-29-24-30-28-23(33-24)15-6-2-1-3-7-15/h1-14,27,31H,(H,29,30)(H,25,26,32).
What are the key properties of 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide?
3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)hydrazinyl]-N-pyridin-4-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 163630022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).