N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide

C18H23N3O2 — CID 9149292

IUPACN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccco2)c(C)n1C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13-11-15(12-19-20-18(22)17-9-6-10-23-17)14(2)21(13)16-7-4-3-5-8-16/h6,9-12,16H,3-5,7-8H2,1-2H3,(H,20,22)/b19-12-
InChIKeyBFMKXKNOAZHUCX-UNOMPAQXSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds4

About N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide

N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide (PubChem CID 9149292) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
PubChem CID9149292
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccco2)c(C)n1C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13-11-15(12-19-20-18(22)17-9-6-10-23-17)14(2)21(13)16-7-4-3-5-8-16/h6,9-12,16H,3-5,7-8H2,1-2H3,(H,20,22)/b19-12-
InChIKeyBFMKXKNOAZHUCX-UNOMPAQXSA-N
XLogP3.97
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.97
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-cyclohexyl-2,5-dimethylpyrrol-3-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-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9147614
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 126002888
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5434120
N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 878912
N-[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126412088
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
CID 9154161
N-[(Z)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 126373772
N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 126001402
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 9143748
N-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 4618863

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide (CID 9149292) is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide is Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1C1CCCCC1.
What is the InChIKey of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is BFMKXKNOAZHUCX-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-11-15(12-19-20-18(22)17-9-6-10-23-17)14(2)21(13)16-7-4-3-5-8-16/h6,9-12,16H,3-5,7-8H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 9149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).