N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide

C15H11FN4O2 — CID 138582553

IUPACN-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(F)cn2)cc1
InChIInChI=1S/C15H11FN4O2/c16-11-3-6-13(18-9-11)20-15(22)7-14(21)19-12-4-1-10(8-17)2-5-12/h1-6,9H,7H2,(H,19,21)(H,18,20,22)
InChIKeyDIIGRARGPDOPMR-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.06
Rot. Bonds4

About N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide

N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide (PubChem CID 138582553) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
PubChem CID138582553
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC NameN-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(F)cn2)cc1
InChIInChI=1S/C15H11FN4O2/c16-11-3-6-13(18-9-11)20-15(22)7-14(21)19-12-4-1-10(8-17)2-5-12/h1-6,9H,7H2,(H,19,21)(H,18,20,22)
InChIKeyDIIGRARGPDOPMR-UHFFFAOYSA-N
XLogP2.06
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158680
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide (CID 138582553) is N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide is N#Cc1ccc(NC(=O)CC(=O)Nc2ccc(F)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide?
The InChIKey is DIIGRARGPDOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-11-3-6-13(18-9-11)20-15(22)7-14(21)19-12-4-1-10(8-17)2-5-12/h1-6,9H,7H2,(H,19,21)(H,18,20,22).
What are the key properties of N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide?
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide has a molecular weight of 298.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide is sourced from PubChem (CID 138582553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).