4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide

C20H18N4O3 — CID 32914668

IUPAC4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1
InChIInChI=1S/C20H18N4O3/c1-13-17(16(11-21)20(27-13)24-8-3-4-9-24)19(26)23-12-14-6-5-7-15(10-14)18(25)22-2/h3-10H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXDZOIYXNWXGNCM-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.54
Rot. Bonds5

About 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 32914668) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID32914668
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1
InChIInChI=1S/C20H18N4O3/c1-13-17(16(11-21)20(27-13)24-8-3-4-9-24)19(26)23-12-14-6-5-7-15(10-14)18(25)22-2/h3-10H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyXDZOIYXNWXGNCM-UHFFFAOYSA-N
XLogP2.54
TPSA100.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 51114715
4-cyano-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46438175
4-cyano-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 47016899
4-cyano-N-(2-hydroxy-2,3-dimethylpentyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111477897
N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 86906820
4-(4-benzoylpiperazine-1-carbonyl)-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
CID 31188867
4-cyano-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111697783
[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782835
3-[2-[[N-[(3-cyanophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633924
N-[(3-carbamothioylphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65153334
3-methyl-5-(methylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 32918468
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782601

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide (CID 32914668) is 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide is CNC(=O)c1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1.
What is the InChIKey of 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is XDZOIYXNWXGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-17(16(11-21)20(27-13)24-8-3-4-9-24)19(26)23-12-14-6-5-7-15(10-14)18(25)22-2/h3-10H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 32914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).