N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C13H13N3O — CID 9025710

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C13H13N3O/c1-10-4-6-11(7-5-10)9-15-16-13(17)12-3-2-8-14-12/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyUCVNALXULVQPIR-DHDCSXOGSA-N
MW227.27 g/mol
LogP2.09
Rot. Bonds3

About N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9025710) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9025710
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C13H13N3O/c1-10-4-6-11(7-5-10)9-15-16-13(17)12-3-2-8-14-12/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyUCVNALXULVQPIR-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 N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide 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

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025779
N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026508
N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026537
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(Z)-[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026444
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135771114
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026718
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025460
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 136861796

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 9025710) is N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is Cc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is UCVNALXULVQPIR-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-4-6-11(7-5-10)9-15-16-13(17)12-3-2-8-14-12/h2-9,14H,1H3,(H,16,17)/b15-9-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide 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 N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9025710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).