3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide

C18H15N3O3 — CID 42748442

IUPAC3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1ccccc1-n1ccc(C#N)c1C(=O)NCc1ccco1
InChIInChI=1S/C18H15N3O3/c1-23-16-7-3-2-6-15(16)21-9-8-13(11-19)17(21)18(22)20-12-14-5-4-10-24-14/h2-10H,12H2,1H3,(H,20,22)
InChIKeyLRTGUGFNSLWXGC-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.88
Rot. Bonds5

About 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide

3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide (PubChem CID 42748442) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide
PubChem CID42748442
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1ccccc1-n1ccc(C#N)c1C(=O)NCc1ccco1
InChIInChI=1S/C18H15N3O3/c1-23-16-7-3-2-6-15(16)21-9-8-13(11-19)17(21)18(22)20-12-14-5-4-10-24-14/h2-10H,12H2,1H3,(H,20,22)
InChIKeyLRTGUGFNSLWXGC-UHFFFAOYSA-N
XLogP2.88
TPSA80.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
(2S)-N-(furan-2-ylmethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7871695
methyl 3-amino-4-cyano-1-[4-(furan-2-ylmethylcarbamoyl)phenyl]pyrrole-2-carboxylate
CID 168548650
N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850808
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7230397
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide (CID 42748442) is 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide is COc1ccccc1-n1ccc(C#N)c1C(=O)NCc1ccco1.
What is the InChIKey of 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide?
The InChIKey is LRTGUGFNSLWXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-16-7-3-2-6-15(16)21-9-8-13(11-19)17(21)18(22)20-12-14-5-4-10-24-14/h2-10H,12H2,1H3,(H,20,22).
What are the key properties of 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide?
3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42748442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).