2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide

C19H19N3O — CID 7412007

IUPAC2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1cccn1C)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O/c1-14(16-10-9-15-6-3-4-7-17(15)12-16)20-21-19(23)13-18-8-5-11-22(18)2/h3-12H,13H2,1-2H3,(H,21,23)/b20-14+
InChIKeyNUMMINVRMVSPEQ-XSFVSMFZSA-N
MW305.38 g/mol
LogP3.26
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide (PubChem CID 7412007) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide
PubChem CID7412007
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1cccn1C)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O/c1-14(16-10-9-15-6-3-4-7-17(15)12-16)20-21-19(23)13-18-8-5-11-22(18)2/h3-12H,13H2,1-2H3,(H,21,23)/b20-14+
InChIKeyNUMMINVRMVSPEQ-XSFVSMFZSA-N
XLogP3.26
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide (CID 7412007) is 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1cccn1C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
The InChIKey is NUMMINVRMVSPEQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(16-10-9-15-6-3-4-7-17(15)12-16)20-21-19(23)13-18-8-5-11-22(18)2/h3-12H,13H2,1-2H3,(H,21,23)/b20-14+.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 7412007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).