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

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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).