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

C13H11Cl2N3O — CID 114917187

IUPAC2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-11-8-18-12(15)7-10(11)13(19)17-6-4-9-3-1-2-5-16-9/h1-3,5,7-8H,4,6H2,(H,17,19)
InChIKeyCSNCNSHCBWCJGN-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.76
Rot. Bonds4

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

2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 114917187) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID114917187
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-11-8-18-12(15)7-10(11)13(19)17-6-4-9-3-1-2-5-16-9/h1-3,5,7-8H,4,6H2,(H,17,19)
InChIKeyCSNCNSHCBWCJGN-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.76
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

5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592
2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide
CID 4783071
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
2-[(2-chlorophenyl)carbamothioylamino]-N-(2-pyridin-2-ylethyl)benzamide
CID 134116682
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
6-amino-3-chloro-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62153756
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 114917187) is 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is O=C(NCCc1ccccn1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is CSNCNSHCBWCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-11-8-18-12(15)7-10(11)13(19)17-6-4-9-3-1-2-5-16-9/h1-3,5,7-8H,4,6H2,(H,17,19).
What are the key properties of 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).