3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide

C15H14Cl2N2O — CID 26518394

IUPAC3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-12-8-9-13(17)19-14(12)15(20)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,18,20)
InChIKeyZMNUCFCNQJGPIA-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.75
Rot. Bonds5

About 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide

3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 26518394) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID26518394
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-12-8-9-13(17)19-14(12)15(20)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,18,20)
InChIKeyZMNUCFCNQJGPIA-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831
3,6-dichloropyridine-2-carbohydrazide
CID 45278328

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 26518394) is 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is ZMNUCFCNQJGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-8-9-13(17)19-14(12)15(20)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 26518394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).