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

C16H16Cl2N2O2 — CID 78780702

IUPAC3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-3-22-12-6-4-11(5-7-12)10-20(2)16(21)15-13(17)8-9-14(18)19-15/h4-9H,3,10H2,1-2H3
InChIKeyCBWBTOFCUZNYDP-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.06
Rot. Bonds5

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

3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 78780702) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID78780702
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-3-22-12-6-4-11(5-7-12)10-20(2)16(21)15-13(17)8-9-14(18)19-15/h4-9H,3,10H2,1-2H3
InChIKeyCBWBTOFCUZNYDP-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304084
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 8862514
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
5-chloro-N-[(4-ethoxyphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27822859

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 78780702) is 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is CCOc1ccc(CN(C)C(=O)c2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is CBWBTOFCUZNYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-3-22-12-6-4-11(5-7-12)10-20(2)16(21)15-13(17)8-9-14(18)19-15/h4-9H,3,10H2,1-2H3.
What are the key properties of 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 78780702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).