2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide

C14H11Cl3N2O — CID 701019

IUPAC2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl3N2O/c1-8-6-11(16)19-13(17)12(8)14(20)18-7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,18,20)
InChIKeyVWVQOGTZHZAFNO-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.28
Rot. Bonds3

About 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide

2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide (PubChem CID 701019) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide
PubChem CID701019
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl3N2O/c1-8-6-11(16)19-13(17)12(8)14(20)18-7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,18,20)
InChIKeyVWVQOGTZHZAFNO-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.28
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-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide (CID 701019) is 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide is Cc1cc(Cl)nc(Cl)c1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide?
The InChIKey is VWVQOGTZHZAFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-8-6-11(16)19-13(17)12(8)14(20)18-7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,18,20).
What are the key properties of 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide?
2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide has a molecular weight of 329.61 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 701019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).