5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide

C20H19N5O2 — CID 11574080

IUPAC5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2N2CCCCC2)o1
InChIInChI=1S/C20H19N5O2/c21-13-16-5-7-19(27-16)20(26)23-17-6-4-15(25-11-8-22-14-25)12-18(17)24-9-2-1-3-10-24/h4-8,11-12,14H,1-3,9-10H2,(H,23,26)
InChIKeyZRIOTTIHUCWFGP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.58
Rot. Bonds4

About 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide

5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 11574080) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID11574080
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2N2CCCCC2)o1
InChIInChI=1S/C20H19N5O2/c21-13-16-5-7-19(27-16)20(26)23-17-6-4-15(25-11-8-22-14-25)12-18(17)24-9-2-1-3-10-24/h4-8,11-12,14H,1-3,9-10H2,(H,23,26)
InChIKeyZRIOTTIHUCWFGP-UHFFFAOYSA-N
XLogP3.58
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide (CID 11574080) is 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2N2CCCCC2)o1.
What is the InChIKey of 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is ZRIOTTIHUCWFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-13-16-5-7-19(27-16)20(26)23-17-6-4-15(25-11-8-22-14-25)12-18(17)24-9-2-1-3-10-24/h4-8,11-12,14H,1-3,9-10H2,(H,23,26).
What are the key properties of 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide?
5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 11574080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).