N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide

C19H19N3O2 — CID 878912

IUPACN-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
SMILESCc1cccc(-n2c(C)cc(C=NNC(=O)c3ccco3)c2C)c1
InChIInChI=1S/C19H19N3O2/c1-13-6-4-7-17(10-13)22-14(2)11-16(15(22)3)12-20-21-19(23)18-8-5-9-24-18/h4-12H,1-3H3,(H,21,23)
InChIKeyDPWDVYGVYLGRMC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.76
Rot. Bonds4

About N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide

N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide (PubChem CID 878912) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
PubChem CID878912
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide
SMILESCc1cccc(-n2c(C)cc(C=NNC(=O)c3ccco3)c2C)c1
InChIInChI=1S/C19H19N3O2/c1-13-6-4-7-17(10-13)22-14(2)11-16(15(22)3)12-20-21-19(23)18-8-5-9-24-18/h4-12H,1-3H3,(H,21,23)
InChIKeyDPWDVYGVYLGRMC-UHFFFAOYSA-N
XLogP3.76
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 126002888
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
4-acetamido-N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]benzamide
CID 3992781
2-benzylsulfanyl-N-[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 94838517
[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea
CID 5415234
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 9149292
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92850621
3-chloro-N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 92851158
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylbenzamide
CID 92851154

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide (CID 878912) is N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide is Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccco3)c2C)c1.
What is the InChIKey of N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is DPWDVYGVYLGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-6-4-7-17(10-13)22-14(2)11-16(15(22)3)12-20-21-19(23)18-8-5-9-24-18/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide?
N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 878912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).