N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide

C22H26N4O2 — CID 126001402

IUPACN-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
SMILESCCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1
InChIInChI=1S/C22H26N4O2/c1-5-25(6-2)19-9-11-20(12-10-19)26-16(3)14-18(17(26)4)15-23-24-22(27)21-8-7-13-28-21/h7-15H,5-6H2,1-4H3,(H,24,27)/b23-15-
InChIKeyIZULFXXIVAZPHU-HAHDFKILSA-N
MW378.48 g/mol
LogP4.30
Rot. Bonds7

About N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide

N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide (PubChem CID 126001402) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
PubChem CID126001402
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
SMILESCCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1
InChIInChI=1S/C22H26N4O2/c1-5-25(6-2)19-9-11-20(12-10-19)26-16(3)14-18(17(26)4)15-23-24-22(27)21-8-7-13-28-21/h7-15H,5-6H2,1-4H3,(H,24,27)/b23-15-
InChIKeyIZULFXXIVAZPHU-HAHDFKILSA-N
XLogP4.30
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 126002888
N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 878912
N-[(Z)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 126373772
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 9149292
N-[[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027827
N-[(E)-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]naphthalene-1-carboxamide
CID 6879681
N-[(E)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 5347313
N-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 878941
N-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 957299
3-acetamido-N-[[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 3999217
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 126005475

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide (CID 126001402) is N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide is CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1.
What is the InChIKey of N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is IZULFXXIVAZPHU-HAHDFKILSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-25(6-2)19-9-11-20(12-10-19)26-16(3)14-18(17(26)4)15-23-24-22(27)21-8-7-13-28-21/h7-15H,5-6H2,1-4H3,(H,24,27)/b23-15-.
What are the key properties of N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide?
N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 126001402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).