5-chloro-N,N-dipyridin-2-ylpentanamide

C15H16ClN3O — CID 141179043

IUPAC5-chloro-N,N-dipyridin-2-ylpentanamide
SMILESO=C(CCCCCl)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C15H16ClN3O/c16-10-4-1-9-15(20)19(13-7-2-5-11-17-13)14-8-3-6-12-18-14/h2-3,5-8,11-12H,1,4,9-10H2
InChIKeyCRFFNDFNOCNYLO-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.55
Rot. Bonds6

About 5-chloro-N,N-dipyridin-2-ylpentanamide

5-chloro-N,N-dipyridin-2-ylpentanamide (PubChem CID 141179043) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-N,N-dipyridin-2-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N,N-dipyridin-2-ylpentanamide
PubChem CID141179043
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N,N-dipyridin-2-ylpentanamide
SMILESO=C(CCCCCl)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C15H16ClN3O/c16-10-4-1-9-15(20)19(13-7-2-5-11-17-13)14-8-3-6-12-18-14/h2-3,5-8,11-12H,1,4,9-10H2
InChIKeyCRFFNDFNOCNYLO-UHFFFAOYSA-N
XLogP3.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dipyridin-2-ylpentanamide?
The IUPAC name of 5-chloro-N,N-dipyridin-2-ylpentanamide (CID 141179043) is 5-chloro-N,N-dipyridin-2-ylpentanamide.
What is the SMILES notation for 5-chloro-N,N-dipyridin-2-ylpentanamide?
The canonical SMILES for 5-chloro-N,N-dipyridin-2-ylpentanamide is O=C(CCCCCl)N(c1ccccn1)c1ccccn1.
What is the InChIKey of 5-chloro-N,N-dipyridin-2-ylpentanamide?
The InChIKey is CRFFNDFNOCNYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-10-4-1-9-15(20)19(13-7-2-5-11-17-13)14-8-3-6-12-18-14/h2-3,5-8,11-12H,1,4,9-10H2.
What are the key properties of 5-chloro-N,N-dipyridin-2-ylpentanamide?
5-chloro-N,N-dipyridin-2-ylpentanamide has a molecular weight of 289.77 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dipyridin-2-ylpentanamide is sourced from PubChem (CID 141179043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).