2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide

C15H14Cl2N2O — CID 715218

IUPAC2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)N(C)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-12(14(17)18-10(2)13(9)16)15(20)19(3)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyOQRRVCIEFJOKCK-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.28
Rot. Bonds2

About 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide

2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide (PubChem CID 715218) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide
PubChem CID715218
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)N(C)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-12(14(17)18-10(2)13(9)16)15(20)19(3)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyOQRRVCIEFJOKCK-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
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 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide (CID 715218) is 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide is Cc1nc(Cl)c(C(=O)N(C)c2ccccc2)c(C)c1Cl.
What is the InChIKey of 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is OQRRVCIEFJOKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-12(14(17)18-10(2)13(9)16)15(20)19(3)11-7-5-4-6-8-11/h4-8H,1-3H3.
What are the key properties of 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide?
2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 715218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).