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

C20H18N4O3 — CID 51114715

IUPAC4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C
InChIInChI=1S/C20H18N4O3/c1-12-14(18(25)22-3)7-6-8-16(12)23-19(26)17-13(2)27-20(15(17)11-21)24-9-4-5-10-24/h4-10H,1-3H3,(H,22,25)(H,23,26)
InChIKeyFEBADKYCUCWWGV-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.17
Rot. Bonds4

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

4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 51114715) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID51114715
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C
InChIInChI=1S/C20H18N4O3/c1-12-14(18(25)22-3)7-6-8-16(12)23-19(26)17-13(2)27-20(15(17)11-21)24-9-4-5-10-24/h4-10H,1-3H3,(H,22,25)(H,23,26)
InChIKeyFEBADKYCUCWWGV-UHFFFAOYSA-N
XLogP3.17
TPSA100.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.17
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-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86918012
N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 86906820
4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 32914668
4-cyano-2-methyl-N-[2-(2-methylpropoxy)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 87027951
4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 33283988
4-cyano-N-(2-fluoro-5-nitrophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 78809058
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 9064328
4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38406531
4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
CID 78887692
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782626
4-cyano-N-(3-hydroxy-3-phenylpropyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111471557
4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 28536647

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide (CID 51114715) is 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide is CNC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C.
What is the InChIKey of 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is FEBADKYCUCWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-14(18(25)22-3)7-6-8-16(12)23-19(26)17-13(2)27-20(15(17)11-21)24-9-4-5-10-24/h4-10H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-2-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.17, 4 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-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 51114715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).