3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide

C23H19N3O3 — CID 50855396

IUPAC3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1ccc(-n2ccc(/C=N\NC(=O)c3cc4ccccc4cc3O)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-20-8-6-19(7-9-20)26-11-10-16(15-26)14-24-25-23(28)21-12-17-4-2-3-5-18(17)13-22(21)27/h2-15,27H,1H3,(H,25,28)/b24-14-
InChIKeyHPGGLDRPHMCUIE-OYKKKHCWSA-N
MW385.42 g/mol
LogP4.11
Rot. Bonds5

About 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 50855396) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
PubChem CID50855396
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1ccc(-n2ccc(/C=N\NC(=O)c3cc4ccccc4cc3O)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-20-8-6-19(7-9-20)26-11-10-16(15-26)14-24-25-23(28)21-12-17-4-2-3-5-18(17)13-22(21)27/h2-15,27H,1H3,(H,25,28)/b24-14-
InChIKeyHPGGLDRPHMCUIE-OYKKKHCWSA-N
XLogP4.11
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
N-[(E)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 50855304
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate
CID 171136023
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
3-hydroxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 50856860
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4045679
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854715
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1009993
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide (CID 50855396) is 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide is COc1ccc(-n2ccc(/C=N\NC(=O)c3cc4ccccc4cc3O)c2)cc1.
What is the InChIKey of 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is HPGGLDRPHMCUIE-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-20-8-6-19(7-9-20)26-11-10-16(15-26)14-24-25-23(28)21-12-17-4-2-3-5-18(17)13-22(21)27/h2-15,27H,1H3,(H,25,28)/b24-14-.
What are the key properties of 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 50855396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).