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

C18H16N4O2 — CID 11209405

IUPAC5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1
InChIInChI=1S/C18H16N4O2/c19-11-13-4-6-16(22-8-2-1-3-9-22)15(10-13)21-18(23)17-7-5-14(12-20)24-17/h4-7,10H,1-3,8-9H2,(H,21,23)
InChIKeyLONZWZXDMYLWOG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.27
Rot. Bonds3

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

5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 11209405) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID11209405
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1
InChIInChI=1S/C18H16N4O2/c19-11-13-4-6-16(22-8-2-1-3-9-22)15(10-13)21-18(23)17-7-5-14(12-20)24-17/h4-7,10H,1-3,8-9H2,(H,21,23)
InChIKeyLONZWZXDMYLWOG-UHFFFAOYSA-N
XLogP3.27
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
5-Cyano-furan-2-carboxylic acid (5-hydroxymethyl-2-(4-methyl-piperidin-1-YL)-phenyl)-amide
CID 9884318
5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4799939
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 11619776
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11685397
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide (CID 11209405) is 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide is N#Cc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1.
What is the InChIKey of 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is LONZWZXDMYLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-11-13-4-6-16(22-8-2-1-3-9-22)15(10-13)21-18(23)17-7-5-14(12-20)24-17/h4-7,10H,1-3,8-9H2,(H,21,23).
What are the key properties of 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide?
5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 11209405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).