N,N'-bis(4-cyanophenyl)pentanediamide

C19H16N4O2 — CID 730657

IUPACN,N'-bis(4-cyanophenyl)pentanediamide
SMILESN#Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H16N4O2/c20-12-14-4-8-16(9-5-14)22-18(24)2-1-3-19(25)23-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2,(H,22,24)(H,23,25)
InChIKeyWHTXRTNDGWNFGV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.18
Rot. Bonds6

About N,N'-bis(4-cyanophenyl)pentanediamide

N,N'-bis(4-cyanophenyl)pentanediamide (PubChem CID 730657) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N,N'-bis(4-cyanophenyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(4-cyanophenyl)pentanediamide
PubChem CID730657
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN,N'-bis(4-cyanophenyl)pentanediamide
SMILESN#Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H16N4O2/c20-12-14-4-8-16(9-5-14)22-18(24)2-1-3-19(25)23-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2,(H,22,24)(H,23,25)
InChIKeyWHTXRTNDGWNFGV-UHFFFAOYSA-N
XLogP3.18
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)pentanamide
CID 2162994
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
CID 62879658
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
4-but-3-enoxy-N-(4-cyanophenyl)butanamide
CID 29005997
N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide
CID 7333617
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-4-(2-methylsulfonylethylsulfanyl)butanamide
CID 63658851
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-cyanophenyl)pentanediamide?
The IUPAC name of N,N'-bis(4-cyanophenyl)pentanediamide (CID 730657) is N,N'-bis(4-cyanophenyl)pentanediamide.
What is the SMILES notation for N,N'-bis(4-cyanophenyl)pentanediamide?
The canonical SMILES for N,N'-bis(4-cyanophenyl)pentanediamide is N#Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N,N'-bis(4-cyanophenyl)pentanediamide?
The InChIKey is WHTXRTNDGWNFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-12-14-4-8-16(9-5-14)22-18(24)2-1-3-19(25)23-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(4-cyanophenyl)pentanediamide?
N,N'-bis(4-cyanophenyl)pentanediamide has a molecular weight of 332.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-cyanophenyl)pentanediamide is sourced from PubChem (CID 730657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).