N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide

C16H11N5O2 — CID 138582546

IUPACN-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)nc2)cc1
InChIInChI=1S/C16H11N5O2/c17-8-11-1-3-12(4-2-11)20-15(22)7-16(23)21-14-6-5-13(9-18)19-10-14/h1-6,10H,7H2,(H,20,22)(H,21,23)
InChIKeyPNRZYBQLNRJQCU-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.79
Rot. Bonds4

About N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide

N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide (PubChem CID 138582546) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
PubChem CID138582546
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC NameN-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)nc2)cc1
InChIInChI=1S/C16H11N5O2/c17-8-11-1-3-12(4-2-11)20-15(22)7-16(23)21-14-6-5-13(9-18)19-10-14/h1-6,10H,7H2,(H,20,22)(H,21,23)
InChIKeyPNRZYBQLNRJQCU-UHFFFAOYSA-N
XLogP1.79
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
CID 138582553
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
CID 129392453
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide (CID 138582546) is N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide is N#Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)nc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide?
The InChIKey is PNRZYBQLNRJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c17-8-11-1-3-12(4-2-11)20-15(22)7-16(23)21-14-6-5-13(9-18)19-10-14/h1-6,10H,7H2,(H,20,22)(H,21,23).
What are the key properties of N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide?
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide has a molecular weight of 305.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide is sourced from PubChem (CID 138582546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).