4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide

C20H19N5O3 — CID 86915806

IUPAC4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1
InChIInChI=1S/C20H19N5O3/c1-13-5-7-15(8-6-13)22-12-17(26)23-24-19(27)18-14(2)28-20(16(18)11-21)25-9-3-4-10-25/h3-10,22H,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVEQVADZSTPVHFN-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.43
Rot. Bonds5

About 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide

4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide (PubChem CID 86915806) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide.

Molecular Properties

Compound Name4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide
PubChem CID86915806
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1
InChIInChI=1S/C20H19N5O3/c1-13-5-7-15(8-6-13)22-12-17(26)23-24-19(27)18-14(2)28-20(16(18)11-21)25-9-3-4-10-25/h3-10,22H,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVEQVADZSTPVHFN-UHFFFAOYSA-N
XLogP2.43
TPSA112.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
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-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 28536647
4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86918012
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782635
4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 86910342
4-cyano-N-(2-hydroxy-2,3-dimethylpentyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111477897
4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
CID 78887692
N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 86906820
4-cyano-N-(2,3-dimethylcyclohexyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46539819
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782524
tert-butyl 4-(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)piperazine-1-carboxylate
CID 86916941
4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 33283988
4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 32914668

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide?
The IUPAC name of 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide (CID 86915806) is 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide.
What is the SMILES notation for 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide?
The canonical SMILES for 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1.
What is the InChIKey of 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide?
The InChIKey is VEQVADZSTPVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-5-7-15(8-6-13)22-12-17(26)23-24-19(27)18-14(2)28-20(16(18)11-21)25-9-3-4-10-25/h3-10,22H,12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide?
4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide has a molecular weight of 377.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide is sourced from PubChem (CID 86915806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).