3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide

C23H19N3O2 — CID 3642162

IUPAC3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESCc1cccc(-n2cccc2C=NNC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C23H19N3O2/c1-16-6-4-9-19(12-16)26-11-5-10-20(26)15-24-25-23(28)21-13-17-7-2-3-8-18(17)14-22(21)27/h2-15,27H,1H3,(H,25,28)
InChIKeyYPNUJNZAOYOIOL-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.41
Rot. Bonds4

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

3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 3642162) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
PubChem CID3642162
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESCc1cccc(-n2cccc2C=NNC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C23H19N3O2/c1-16-6-4-9-19(12-16)26-11-5-10-20(26)15-24-25-23(28)21-13-17-7-2-3-8-18(17)14-22(21)27/h2-15,27H,1H3,(H,25,28)
InChIKeyYPNUJNZAOYOIOL-UHFFFAOYSA-N
XLogP4.41
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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-methoxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 4685961
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 5133184
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126092012
N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126020817
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-hydroxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3883204
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4045679
3-hydroxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 50856860

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide (CID 3642162) is 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide is Cc1cccc(-n2cccc2C=NNC(=O)c2cc3ccccc3cc2O)c1.
What is the InChIKey of 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is YPNUJNZAOYOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16-6-4-9-19(12-16)26-11-5-10-20(26)15-24-25-23(28)21-13-17-7-2-3-8-18(17)14-22(21)27/h2-15,27H,1H3,(H,25,28).
What are the key properties of 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 3642162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).