2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide

C22H19N3O — CID 110524912

IUPAC2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1cn(C)c2ccccc12
InChIInChI=1S/C22H19N3O/c1-15-11-12-16-7-3-4-9-19(16)21(15)22(26)24-23-13-17-14-25(2)20-10-6-5-8-18(17)20/h3-14H,1-2H3,(H,24,26)/b23-13-
InChIKeyAALPRSVFTTWKGS-QRVIBDJDSA-N
MW341.41 g/mol
LogP4.40
Rot. Bonds3

About 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide

2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 110524912) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID110524912
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1cn(C)c2ccccc12
InChIInChI=1S/C22H19N3O/c1-15-11-12-16-7-3-4-9-19(16)21(15)22(26)24-23-13-17-14-25(2)20-10-6-5-8-18(17)20/h3-14H,1-2H3,(H,24,26)/b23-13-
InChIKeyAALPRSVFTTWKGS-QRVIBDJDSA-N
XLogP4.40
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
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

[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524921
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524945
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524880
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide (CID 110524912) is 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)N/N=C\c1cn(C)c2ccccc12.
What is the InChIKey of 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is AALPRSVFTTWKGS-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-11-12-16-7-3-4-9-19(16)21(15)22(26)24-23-13-17-14-25(2)20-10-6-5-8-18(17)20/h3-14H,1-2H3,(H,24,26)/b23-13-.
What are the key properties of 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 110524912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).