N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide

C12H13N3O2 — CID 50855634

IUPACN-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccco2)n1C
InChIInChI=1S/C12H13N3O2/c1-9-5-6-10(15(9)2)8-13-14-12(16)11-4-3-7-17-11/h3-8H,1-2H3,(H,14,16)/b13-8-
InChIKeyQULIOUXVAFBVOT-JYRVWZFOSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds3

About N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide

N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 50855634) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID50855634
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccco2)n1C
InChIInChI=1S/C12H13N3O2/c1-9-5-6-10(15(9)2)8-13-14-12(16)11-4-3-7-17-11/h3-8H,1-2H3,(H,14,16)/b13-8-
InChIKeyQULIOUXVAFBVOT-JYRVWZFOSA-N
XLogP1.69
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-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-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
CID 962789
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide
CID 50855653
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
3-chloro-N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]benzamide
CID 50855655
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 126002888
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide
CID 177440990
N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
CID 9175406
N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 878912

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide (CID 50855634) is N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide is Cc1ccc(/C=N\NC(=O)c2ccco2)n1C.
What is the InChIKey of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is QULIOUXVAFBVOT-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-5-6-10(15(9)2)8-13-14-12(16)11-4-3-7-17-11/h3-8H,1-2H3,(H,14,16)/b13-8-.
What are the key properties of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 50855634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).