3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

C13H13N3O — CID 135801543

IUPAC3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc[nH]2)c1
InChIInChI=1S/C13H13N3O/c1-10-4-2-5-11(8-10)13(17)16-15-9-12-6-3-7-14-12/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyCTNHJYTWFQEUQJ-DHDCSXOGSA-N
MW227.27 g/mol
LogP2.09
Rot. Bonds3

About 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 135801543) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID135801543
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc[nH]2)c1
InChIInChI=1S/C13H13N3O/c1-10-4-2-5-11(8-10)13(17)16-15-9-12-6-3-7-14-12/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyCTNHJYTWFQEUQJ-DHDCSXOGSA-N
XLogP2.09
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135645943
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3,5-ditert-butyl-4-hydroxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 139795288
6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
CID 935068
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 135801543) is 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is Cc1cccc(C(=O)N/N=C\c2ccc[nH]2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is CTNHJYTWFQEUQJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-4-2-5-11(8-10)13(17)16-15-9-12-6-3-7-14-12/h2-9,14H,1H3,(H,16,17)/b15-9-.
What are the key properties of 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 227.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 135801543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).