2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide

C15H14Cl2N2O — CID 3956566

IUPAC2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-10-9-12(16)19-14(17)13(10)15(20)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,20)
InChIKeyKXRLSPQNJRFUDI-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.67
Rot. Bonds4

About 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide

2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 3956566) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID3956566
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-10-9-12(16)19-14(17)13(10)15(20)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,20)
InChIKeyKXRLSPQNJRFUDI-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.67
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 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide (CID 3956566) is 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide is Cc1cc(Cl)nc(Cl)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is KXRLSPQNJRFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10-9-12(16)19-14(17)13(10)15(20)18-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,20).
What are the key properties of 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide?
2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3956566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).