4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide

C20H18N4O4 — CID 28536647

IUPAC4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1
InChIInChI=1S/C20H18N4O4/c1-3-27-15-8-6-14(7-9-15)18(25)22-23-19(26)17-13(2)28-20(16(17)12-21)24-10-4-5-11-24/h4-11H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXPCXRZRUFDSVCQ-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.72
Rot. Bonds5

About 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide

4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide (PubChem CID 28536647) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide.

Molecular Properties

Compound Name4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
PubChem CID28536647
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1
InChIInChI=1S/C20H18N4O4/c1-3-27-15-8-6-14(7-9-15)18(25)22-23-19(26)17-13(2)28-20(16(17)12-21)24-10-4-5-11-24/h4-11H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXPCXRZRUFDSVCQ-UHFFFAOYSA-N
XLogP2.72
TPSA109.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 86915806
4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86918012
(3-cyanophenyl) 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 18196714
4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38406531
4-cyano-N-(2-hydroxy-2,3-dimethylpentyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111477897
4-cyano-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111697783
4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 94801186
4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 51114715
4-cyano-2-methyl-5-pyrrol-1-yl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-3-carboxamide
CID 31871947
N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46517359
4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
CID 78887692
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782701

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
The IUPAC name of 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide (CID 28536647) is 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide.
What is the SMILES notation for 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
The canonical SMILES for 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1.
What is the InChIKey of 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
The InChIKey is XPCXRZRUFDSVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-3-27-15-8-6-14(7-9-15)18(25)22-23-19(26)17-13(2)28-20(16(17)12-21)24-10-4-5-11-24/h4-11H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide has a molecular weight of 378.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide is sourced from PubChem (CID 28536647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).