N,N'-dipyridin-3-ylpropanediamide

C13H12N4O2 — CID 1472074

IUPACN,N'-dipyridin-3-ylpropanediamide
SMILESO=C(CC(=O)Nc1cccnc1)Nc1cccnc1
InChIInChI=1S/C13H12N4O2/c18-12(16-10-3-1-5-14-8-10)7-13(19)17-11-4-2-6-15-9-11/h1-6,8-9H,7H2,(H,16,18)(H,17,19)
InChIKeyASDHXANSJMJFLU-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.44
Rot. Bonds4

About N,N'-dipyridin-3-ylpropanediamide

N,N'-dipyridin-3-ylpropanediamide (PubChem CID 1472074) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N,N'-dipyridin-3-ylpropanediamide.

Molecular Properties

Compound NameN,N'-dipyridin-3-ylpropanediamide
PubChem CID1472074
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN,N'-dipyridin-3-ylpropanediamide
SMILESO=C(CC(=O)Nc1cccnc1)Nc1cccnc1
InChIInChI=1S/C13H12N4O2/c18-12(16-10-3-1-5-14-8-10)7-13(19)17-11-4-2-6-15-9-11/h1-6,8-9H,7H2,(H,16,18)(H,17,19)
InChIKeyASDHXANSJMJFLU-UHFFFAOYSA-N
XLogP1.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of N,N'-dipyridin-3-ylpropanediamide?
The IUPAC name of N,N'-dipyridin-3-ylpropanediamide (CID 1472074) is N,N'-dipyridin-3-ylpropanediamide.
What is the SMILES notation for N,N'-dipyridin-3-ylpropanediamide?
The canonical SMILES for N,N'-dipyridin-3-ylpropanediamide is O=C(CC(=O)Nc1cccnc1)Nc1cccnc1.
What is the InChIKey of N,N'-dipyridin-3-ylpropanediamide?
The InChIKey is ASDHXANSJMJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-12(16-10-3-1-5-14-8-10)7-13(19)17-11-4-2-6-15-9-11/h1-6,8-9H,7H2,(H,16,18)(H,17,19).
What are the key properties of N,N'-dipyridin-3-ylpropanediamide?
N,N'-dipyridin-3-ylpropanediamide has a molecular weight of 256.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipyridin-3-ylpropanediamide is sourced from PubChem (CID 1472074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).