2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide

C13H11Cl2N3O — CID 114917283

IUPAC2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1cccnc1
InChIInChI=1S/C13H11Cl2N3O/c1-8(9-3-2-4-16-6-9)18-13(19)10-5-12(15)17-7-11(10)14/h2-8H,1H3,(H,18,19)
InChIKeyAEOGRRMAWLFNDX-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.27
Rot. Bonds3

About 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide

2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide (PubChem CID 114917283) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
PubChem CID114917283
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1cccnc1
InChIInChI=1S/C13H11Cl2N3O/c1-8(9-3-2-4-16-6-9)18-13(19)10-5-12(15)17-7-11(10)14/h2-8H,1H3,(H,18,19)
InChIKeyAEOGRRMAWLFNDX-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103604669

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide (CID 114917283) is 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)ncc1Cl)c1cccnc1.
What is the InChIKey of 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
The InChIKey is AEOGRRMAWLFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8(9-3-2-4-16-6-9)18-13(19)10-5-12(15)17-7-11(10)14/h2-8H,1H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide?
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).