N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide

C21H17N3O2 — CID 135715615

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c1-26-20-11-15-7-3-2-6-14(15)10-18(20)21(25)24-23-13-16-12-22-19-9-5-4-8-17(16)19/h2-13,22H,1H3,(H,24,25)/b23-13+
InChIKeyYBSRIMBGDJWDJE-YDZHTSKRSA-N
MW343.39 g/mol
LogP4.09
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 135715615) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID135715615
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c1-26-20-11-15-7-3-2-6-14(15)10-18(20)21(25)24-23-13-16-12-22-19-9-5-4-8-17(16)19/h2-13,22H,1H3,(H,24,25)/b23-13+
InChIKeyYBSRIMBGDJWDJE-YDZHTSKRSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 135715615) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is YBSRIMBGDJWDJE-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-20-11-15-7-3-2-6-14(15)10-18(20)21(25)24-23-13-16-12-22-19-9-5-4-8-17(16)19/h2-13,22H,1H3,(H,24,25)/b23-13+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 135715615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).