N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide

C22H17N3O2 — CID 6889343

IUPACN-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H17N3O2/c26-19-12-10-17(11-13-19)25-14-4-7-18(25)15-23-24-22(27)21-9-3-6-16-5-1-2-8-20(16)21/h1-15,26H,(H,24,27)/b23-15+
InChIKeyBDPPOSZAEFWKFA-HZHRSRAPSA-N
MW355.40 g/mol
LogP4.10
Rot. Bonds4

About N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide

N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide (PubChem CID 6889343) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide
PubChem CID6889343
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H17N3O2/c26-19-12-10-17(11-13-19)25-14-4-7-18(25)15-23-24-22(27)21-9-3-6-16-5-1-2-8-20(16)21/h1-15,26H,(H,24,27)/b23-15+
InChIKeyBDPPOSZAEFWKFA-HZHRSRAPSA-N
XLogP4.10
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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 N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide (CID 6889343) is N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide is O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide?
The InChIKey is BDPPOSZAEFWKFA-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-19-12-10-17(11-13-19)25-14-4-7-18(25)15-23-24-22(27)21-9-3-6-16-5-1-2-8-20(16)21/h1-15,26H,(H,24,27)/b23-15+.
What are the key properties of N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide?
N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 6889343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).