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

C19H17N5O3 — CID 86918012

IUPAC4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1
InChIInChI=1S/C19H17N5O3/c1-12-16(15(11-20)18(27-12)24-9-3-4-10-24)17(25)22-13-5-7-14(8-6-13)23-19(26)21-2/h3-10H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyRVAZTPMVFDMUBX-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.25
Rot. Bonds4

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

4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 86918012) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID86918012
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1
InChIInChI=1S/C19H17N5O3/c1-12-16(15(11-20)18(27-12)24-9-3-4-10-24)17(25)22-13-5-7-14(8-6-13)23-19(26)21-2/h3-10H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyRVAZTPMVFDMUBX-UHFFFAOYSA-N
XLogP3.25
TPSA112.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
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-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
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782635
4-cyano-2-methyl-N'-[2-(4-methylanilino)acetyl]-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 86915806
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782706
4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38406531
4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 32914668
4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 33283988
4-cyano-2-methyl-N-[2-(2-methylpropoxy)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 87027951
4-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 17495664
4-cyano-N-(3-hydroxy-3-phenylpropyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111471557

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide (CID 86918012) is 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1.
What is the InChIKey of 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is RVAZTPMVFDMUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-16(15(11-20)18(27-12)24-9-3-4-10-24)17(25)22-13-5-7-14(8-6-13)23-19(26)21-2/h3-10H,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 86918012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).