3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide

C17H13N3O2 — CID 5332763

IUPAC3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13N3O2/c21-16-10-14-4-2-1-3-13(14)9-15(16)17(22)20-19-11-12-5-7-18-8-6-12/h1-11,21H,(H,20,22)/b19-11+
InChIKeyLVOVRLMOYZZYDY-YBFXNURJSA-N
MW291.31 g/mol
LogP2.70
Rot. Bonds3

About 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide (PubChem CID 5332763) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide
PubChem CID5332763
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13N3O2/c21-16-10-14-4-2-1-3-13(14)9-15(16)17(22)20-19-11-12-5-7-18-8-6-12/h1-11,21H,(H,20,22)/b19-11+
InChIKeyLVOVRLMOYZZYDY-YBFXNURJSA-N
XLogP2.70
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide (CID 5332763) is 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccncc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide?
The InChIKey is LVOVRLMOYZZYDY-YBFXNURJSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-10-14-4-2-1-3-13(14)9-15(16)17(22)20-19-11-12-5-7-18-8-6-12/h1-11,21H,(H,20,22)/b19-11+.
What are the key properties of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5332763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).