2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide

C24H25N3O — CID 6529503

IUPAC2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C24H25N3O/c1-17-16-22(18(2)27(17)20-12-4-3-5-13-20)24(28)26-25-23-15-9-7-11-19-10-6-8-14-21(19)23/h3-6,8,10,12-14,16H,7,9,11,15H2,1-2H3,(H,26,28)/b25-23-
InChIKeyHFSZHYYPJBHGKH-BZZOAKBMSA-N
MW371.48 g/mol
LogP4.95
Rot. Bonds3

About 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide

2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide (PubChem CID 6529503) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
PubChem CID6529503
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C24H25N3O/c1-17-16-22(18(2)27(17)20-12-4-3-5-13-20)24(28)26-25-23-15-9-7-11-19-10-6-8-14-21(19)23/h3-6,8,10,12-14,16H,7,9,11,15H2,1-2H3,(H,26,28)/b25-23-
InChIKeyHFSZHYYPJBHGKH-BZZOAKBMSA-N
XLogP4.95
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-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

2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
CID 7929302
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6185796
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929317
2,5-dimethyl-N-[(4-phenoxyphenyl)methylideneamino]-1-phenylpyrrole-3-carboxamide
CID 2403557

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide (CID 6529503) is 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide is Cc1cc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide?
The InChIKey is HFSZHYYPJBHGKH-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-16-22(18(2)27(17)20-12-4-3-5-13-20)24(28)26-25-23-15-9-7-11-19-10-6-8-14-21(19)23/h3-6,8,10,12-14,16H,7,9,11,15H2,1-2H3,(H,26,28)/b25-23-.
What are the key properties of 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide is sourced from PubChem (CID 6529503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).