N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C31H23N3O3 — CID 6138625

IUPACN-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1c(OCc2ccccc2C#N)ccc2ccccc12
InChIInChI=1S/C31H23N3O3/c1-36-30-17-23-10-3-2-9-22(23)16-27(30)31(35)34-33-19-28-26-13-7-6-8-21(26)14-15-29(28)37-20-25-12-5-4-11-24(25)18-32/h2-17,19H,20H2,1H3,(H,34,35)/b33-19-
InChIKeyNOFABHCLZSVAFE-APTWKGOFSA-N
MW485.54 g/mol
LogP6.22
Rot. Bonds7

About N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 6138625) has the molecular formula C31H23N3O3 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID6138625
Molecular FormulaC31H23N3O3
Molecular Weight485.54 g/mol
Exact Mass485.17
IUPAC NameN-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1c(OCc2ccccc2C#N)ccc2ccccc12
InChIInChI=1S/C31H23N3O3/c1-36-30-17-23-10-3-2-9-22(23)16-27(30)31(35)34-33-19-28-26-13-7-6-8-21(26)14-15-29(28)37-20-25-12-5-4-11-24(25)18-32/h2-17,19H,20H2,1H3,(H,34,35)/b33-19-
InChIKeyNOFABHCLZSVAFE-APTWKGOFSA-N
XLogP6.22
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061178
2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 17246062
N-[[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4665748
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022
5,7-dibromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376301
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376683
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126223223
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397757
2-methoxy-5-nitro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126178658
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
2-methoxy-4-methyl-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126017623
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 6138625) is N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1c(OCc2ccccc2C#N)ccc2ccccc12.
What is the InChIKey of N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is NOFABHCLZSVAFE-APTWKGOFSA-N. The full InChI is InChI=1S/C31H23N3O3/c1-36-30-17-23-10-3-2-9-22(23)16-27(30)31(35)34-33-19-28-26-13-7-6-8-21(26)14-15-29(28)37-20-25-12-5-4-11-24(25)18-32/h2-17,19H,20H2,1H3,(H,34,35)/b33-19-.
What are the key properties of N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 6138625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).