N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide

C15H16N4O2 — CID 108947438

IUPACN'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
SMILESO=C(CC(=O)NCc1ccccn1)NCc1ccncc1
InChIInChI=1S/C15H16N4O2/c20-14(18-10-12-4-7-16-8-5-12)9-15(21)19-11-13-3-1-2-6-17-13/h1-8H,9-11H2,(H,18,20)(H,19,21)
InChIKeyZPDHNXSDZCJLHN-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.80
Rot. Bonds6

About N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide

N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108947438) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
PubChem CID108947438
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
SMILESO=C(CC(=O)NCc1ccccn1)NCc1ccncc1
InChIInChI=1S/C15H16N4O2/c20-14(18-10-12-4-7-16-8-5-12)9-15(21)19-11-13-3-1-2-6-17-13/h1-8H,9-11H2,(H,18,20)(H,19,21)
InChIKeyZPDHNXSDZCJLHN-UHFFFAOYSA-N
XLogP0.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide (CID 108947438) is N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide is O=C(CC(=O)NCc1ccccn1)NCc1ccncc1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is ZPDHNXSDZCJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(18-10-12-4-7-16-8-5-12)9-15(21)19-11-13-3-1-2-6-17-13/h1-8H,9-11H2,(H,18,20)(H,19,21).
What are the key properties of N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide?
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 284.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108947438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).