5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide

C14H12Cl2N2O — CID 2082789

IUPAC5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-12-8-11(9-18-13(12)16)14(19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)
InChIKeyUGTQNHMUWCCPGU-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.36
Rot. Bonds4

About 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 2082789) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID2082789
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-12-8-11(9-18-13(12)16)14(19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)
InChIKeyUGTQNHMUWCCPGU-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide (CID 2082789) is 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is UGTQNHMUWCCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-8-11(9-18-13(12)16)14(19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19).
What are the key properties of 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2082789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).