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

C19H16N4O2 — CID 68500230

IUPACN',N'-bis(4-cyanophenyl)pentanediamide
SMILESN#Cc1ccc(N(C(=O)CCCC(N)=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H16N4O2/c20-12-14-4-8-16(9-5-14)23(19(25)3-1-2-18(22)24)17-10-6-15(13-21)7-11-17/h4-11H,1-3H2,(H2,22,24)
InChIKeyIKUSQLNTCWIZTJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.75
Rot. Bonds6

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

N',N'-bis(4-cyanophenyl)pentanediamide (PubChem CID 68500230) 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 CID68500230
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN',N'-bis(4-cyanophenyl)pentanediamide
SMILESN#Cc1ccc(N(C(=O)CCCC(N)=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H16N4O2/c20-12-14-4-8-16(9-5-14)23(19(25)3-1-2-18(22)24)17-10-6-15(13-21)7-11-17/h4-11H,1-3H2,(H2,22,24)
InChIKeyIKUSQLNTCWIZTJ-UHFFFAOYSA-N
XLogP2.75
TPSA110.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
4-[amino(fluoro)amino]benzonitrile;oxalic acid
CID 175316282
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
ethyl 3-(4-cyano-N-methylanilino)-2-methylpropanoate
CID 62980813
2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
CID 60875913
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
4-(4-cyanoanilino)-N,N-dimethylbutanamide
CID 54983863
1-(4-cyanophenyl)-1-cyclopentylurea
CID 90850175
N'-(2-amino-4-methylphenyl)-N'-(4-methylphenyl)heptanediamide
CID 68559506
2-amino-1-(4-cyanophenyl)-1-methylguanidine
CID 77054083
ethyl 2-(4-cyano-N-methylanilino)butanoate
CID 64660938

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 68500230) 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(N(C(=O)CCCC(N)=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N',N'-bis(4-cyanophenyl)pentanediamide?
The InChIKey is IKUSQLNTCWIZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-12-14-4-8-16(9-5-14)23(19(25)3-1-2-18(22)24)17-10-6-15(13-21)7-11-17/h4-11H,1-3H2,(H2,22,24).
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 2.75, 6 rotatable bonds, 1 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 68500230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).