N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C18H19N3O2 — CID 135800336

IUPACN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESC/C(=N\NC(=O)c1oc2ccccc2c1C)c1c(C)c[nH]c1C
InChIInChI=1S/C18H19N3O2/c1-10-9-19-12(3)16(10)13(4)20-21-18(22)17-11(2)14-7-5-6-8-15(14)23-17/h5-9,19H,1-4H3,(H,21,22)/b20-13+
InChIKeyIADDMLCUAULIFO-DEDYPNTBSA-N
MW309.37 g/mol
LogP3.84
Rot. Bonds3

About N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 135800336) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID135800336
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESC/C(=N\NC(=O)c1oc2ccccc2c1C)c1c(C)c[nH]c1C
InChIInChI=1S/C18H19N3O2/c1-10-9-19-12(3)16(10)13(4)20-21-18(22)17-11(2)14-7-5-6-8-15(14)23-17/h5-9,19H,1-4H3,(H,21,22)/b20-13+
InChIKeyIADDMLCUAULIFO-DEDYPNTBSA-N
XLogP3.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-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-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9397289
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9259414
3-methyl-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 9464399
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate
CID 9464288
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464723
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
CID 135710565
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
CID 9464639
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 135800336) is N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide is C/C(=N\NC(=O)c1oc2ccccc2c1C)c1c(C)c[nH]c1C.
What is the InChIKey of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IADDMLCUAULIFO-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-10-9-19-12(3)16(10)13(4)20-21-18(22)17-11(2)14-7-5-6-8-15(14)23-17/h5-9,19H,1-4H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135800336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).