3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide

C16H13N3O2 — CID 135521778

IUPAC3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cc2ccccc2cc1O
InChIInChI=1S/C16H13N3O2/c20-15-9-12-5-2-1-4-11(12)8-14(15)16(21)19-18-10-13-6-3-7-17-13/h1-10,17,20H,(H,19,21)/b18-10+
InChIKeyBCIFVFLEPKBJSP-VCHYOVAHSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds3

About 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide (PubChem CID 135521778) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide
PubChem CID135521778
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cc2ccccc2cc1O
InChIInChI=1S/C16H13N3O2/c20-15-9-12-5-2-1-4-11(12)8-14(15)16(21)19-18-10-13-6-3-7-17-13/h1-10,17,20H,(H,19,21)/b18-10+
InChIKeyBCIFVFLEPKBJSP-VCHYOVAHSA-N
XLogP2.64
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide (CID 135521778) is 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccc[nH]1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide?
The InChIKey is BCIFVFLEPKBJSP-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15-9-12-5-2-1-4-11(12)8-14(15)16(21)19-18-10-13-6-3-7-17-13/h1-10,17,20H,(H,19,21)/b18-10+.
What are the key properties of 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 135521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).