N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide

C15H13Cl2N3O2 — CID 108947580

IUPACN'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)ccc1Cl)NCc1ccccn1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-4-5-12(17)13(7-10)20-15(22)8-14(21)19-9-11-3-1-2-6-18-11/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyWBDKQYKKJMEYBM-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.03
Rot. Bonds5

About N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide

N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108947580) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
PubChem CID108947580
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)ccc1Cl)NCc1ccccn1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-4-5-12(17)13(7-10)20-15(22)8-14(21)19-9-11-3-1-2-6-18-11/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyWBDKQYKKJMEYBM-UHFFFAOYSA-N
XLogP3.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235186
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
1-N-(2,4-dichlorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136999
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide (CID 108947580) is N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide is O=C(CC(=O)Nc1cc(Cl)ccc1Cl)NCc1ccccn1.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is WBDKQYKKJMEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-10-4-5-12(17)13(7-10)20-15(22)8-14(21)19-9-11-3-1-2-6-18-11/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 338.19 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108947580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).