N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide

C17H13N3O2 — CID 91376374

IUPACN-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide
SMILESN#CCc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)[nH]1
InChIInChI=1S/C17H13N3O2/c18-10-9-14-7-8-15(19-14)12-3-5-13(6-4-12)20-17(21)16-2-1-11-22-16/h1-8,11,19H,9H2,(H,20,21)
InChIKeyLJUXJCCPVWYLOR-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.59
Rot. Bonds4

About N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide

N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 91376374) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide
PubChem CID91376374
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide
SMILESN#CCc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)[nH]1
InChIInChI=1S/C17H13N3O2/c18-10-9-14-7-8-15(19-14)12-3-5-13(6-4-12)20-17(21)16-2-1-11-22-16/h1-8,11,19H,9H2,(H,20,21)
InChIKeyLJUXJCCPVWYLOR-UHFFFAOYSA-N
XLogP3.59
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
CID 90835747
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
CID 19318373
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 3606271
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9259995
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide (CID 91376374) is N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide is N#CCc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)[nH]1.
What is the InChIKey of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is LJUXJCCPVWYLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-10-9-14-7-8-15(19-14)12-3-5-13(6-4-12)20-17(21)16-2-1-11-22-16/h1-8,11,19H,9H2,(H,20,21).
What are the key properties of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide?
N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 91376374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).