methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate

C19H16N4O4 — CID 168548650

IUPACmethyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H16N4O4/c1-26-19(25)17-16(21)13(9-20)11-23(17)14-6-4-12(5-7-14)18(24)22-10-15-3-2-8-27-15/h2-8,11H,10,21H2,1H3,(H,22,24)
InChIKeyPZUGXCNORRWODM-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.24
Rot. Bonds5

About methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate

methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate (PubChem CID 168548650) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate
PubChem CID168548650
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Namemethyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H16N4O4/c1-26-19(25)17-16(21)13(9-20)11-23(17)14-6-4-12(5-7-14)18(24)22-10-15-3-2-8-27-15/h2-8,11H,10,21H2,1H3,(H,22,24)
InChIKeyPZUGXCNORRWODM-UHFFFAOYSA-N
XLogP2.24
TPSA123.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-4-cyano-1-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrrole-2-carboxylate
CID 168546631
methyl 3-amino-4-cyano-1-[4-(4-ethoxycarbonylphenyl)phenyl]pyrrole-2-carboxylate
CID 168547999
methyl 3-amino-4-cyano-1-[4-[4-(dimethylcarbamoyl)phenyl]phenyl]pyrrole-2-carboxylate
CID 168546865
methyl 3-amino-4-cyano-1-[4-[(4-fluorophenyl)carbamoyl]phenyl]pyrrole-2-carboxylate
CID 168546015
methyl 3-amino-4-cyano-1-[4-[methyl(phenyl)carbamoyl]phenyl]pyrrole-2-carboxylate
CID 168549271
methyl 3-amino-4-cyano-1-[4-(cyclopentylcarbamoyl)phenyl]pyrrole-2-carboxylate
CID 168548649
methyl 3-amino-4-cyano-1-(4-pyrimidin-2-ylphenyl)pyrrole-2-carboxylate
CID 168546420
methyl 3-amino-4-cyano-1-(4-pentan-3-ylphenyl)pyrrole-2-carboxylate
CID 168548050
methyl 3-amino-4-cyano-1-(4-hexoxycarbonylphenyl)pyrrole-2-carboxylate
CID 168549638
4-[4-(3-amino-4-cyano-2-methoxycarbonylpyrrol-1-yl)phenyl]-3-methyl-4-oxobutanoic acid
CID 168545858
methyl 3-amino-4-cyano-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyrrole-2-carboxylate
CID 168511920
methyl 3-amino-4-cyano-1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]pyrrole-2-carboxylate
CID 168546952

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate (CID 168548650) is methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate is COC(=O)c1c(N)c(C#N)cn1-c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate?
The InChIKey is PZUGXCNORRWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-26-19(25)17-16(21)13(9-20)11-23(17)14-6-4-12(5-7-14)18(24)22-10-15-3-2-8-27-15/h2-8,11H,10,21H2,1H3,(H,22,24).
What are the key properties of methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate?
methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate is sourced from PubChem (CID 168548650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).