N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide

C22H26N4O2 — CID 92849321

IUPACN-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCC12CN3CCN(CC(C3)/C1=N/NC(=O)c1cc3ccccc3cc1O)C2
InChIInChI=1S/C22H26N4O2/c1-2-22-13-25-7-8-26(14-22)12-17(11-25)20(22)23-24-21(28)18-9-15-5-3-4-6-16(15)10-19(18)27/h3-6,9-10,17,27H,2,7-8,11-14H2,1H3,(H,24,28)/b23-20-
InChIKeySRVVGKLJDJOPAS-ATJXCDBQSA-N
MW378.48 g/mol
LogP2.29
Rot. Bonds3

About N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide

N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 92849321) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID92849321
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCC12CN3CCN(CC(C3)/C1=N/NC(=O)c1cc3ccccc3cc1O)C2
InChIInChI=1S/C22H26N4O2/c1-2-22-13-25-7-8-26(14-22)12-17(11-25)20(22)23-24-21(28)18-9-15-5-3-4-6-16(15)10-19(18)27/h3-6,9-10,17,27H,2,7-8,11-14H2,1H3,(H,24,28)/b23-20-
InChIKeySRVVGKLJDJOPAS-ATJXCDBQSA-N
XLogP2.29
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.29
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-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
CID 129431751
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
CID 7789595
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide
CID 6906295
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide (CID 92849321) is N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is CCC12CN3CCN(CC(C3)/C1=N/NC(=O)c1cc3ccccc3cc1O)C2.
What is the InChIKey of N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is SRVVGKLJDJOPAS-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-22-13-25-7-8-26(14-22)12-17(11-25)20(22)23-24-21(28)18-9-15-5-3-4-6-16(15)10-19(18)27/h3-6,9-10,17,27H,2,7-8,11-14H2,1H3,(H,24,28)/b23-20-.
What are the key properties of N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 92849321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).