3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide

C24H23N3O2 — CID 4553526

IUPAC3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
SMILESCN1C(=CC=NNC(=O)c2cc3ccccc3cc2O)C(C)(C)c2ccccc21
InChIInChI=1S/C24H23N3O2/c1-24(2)19-10-6-7-11-20(19)27(3)22(24)12-13-25-26-23(29)18-14-16-8-4-5-9-17(16)15-21(18)28/h4-15,28H,1-3H3,(H,26,29)
InChIKeyIMQNNQPKCIGAOC-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.57
Rot. Bonds3

About 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide (PubChem CID 4553526) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
PubChem CID4553526
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
SMILESCN1C(=CC=NNC(=O)c2cc3ccccc3cc2O)C(C)(C)c2ccccc21
InChIInChI=1S/C24H23N3O2/c1-24(2)19-10-6-7-11-20(19)27(3)22(24)12-13-25-26-23(29)18-14-16-8-4-5-9-17(16)15-21(18)28/h4-15,28H,1-3H3,(H,26,29)
InChIKeyIMQNNQPKCIGAOC-UHFFFAOYSA-N
XLogP4.57
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.57
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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Related Compounds

2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
CID 3956805
4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 2392923
4-nitro-N-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 15945089
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
1,3-diphenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]pyrazole-4-carboxamide
CID 6906141
benzohydrazide;(2Z)-2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde;N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 172948088
1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
CID 110876822
2-chloro-5-[(2E)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzoate
CID 6901436
2-(4-bromoanilino)-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6900084
3-methyl-1-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]thieno[3,2-d]pyrazole-5-carboxamide
CID 6902021
2-(2-methoxyanilino)-N-[(Z)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6277923
N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 3956222

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide (CID 4553526) is 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide is CN1C(=CC=NNC(=O)c2cc3ccccc3cc2O)C(C)(C)c2ccccc21.
What is the InChIKey of 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide?
The InChIKey is IMQNNQPKCIGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-24(2)19-10-6-7-11-20(19)27(3)22(24)12-13-25-26-23(29)18-14-16-8-4-5-9-17(16)15-21(18)28/h4-15,28H,1-3H3,(H,26,29).
What are the key properties of 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 4553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).