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

C15H14Cl2N2O2 — CID 35136218

IUPAC3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-19(9-10-5-3-4-6-12(10)21-2)15(20)14-11(16)7-8-13(17)18-14/h3-8H,9H2,1-2H3
InChIKeyWRMYEZBZBVFFNC-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.67
Rot. Bonds4

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

3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 35136218) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID35136218
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-19(9-10-5-3-4-6-12(10)21-2)15(20)14-11(16)7-8-13(17)18-14/h3-8H,9H2,1-2H3
InChIKeyWRMYEZBZBVFFNC-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.67
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

5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
6-amino-3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62160447
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
CID 62160440
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 78780702
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 35136218) is 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is COc1ccccc1CN(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is WRMYEZBZBVFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-19(9-10-5-3-4-6-12(10)21-2)15(20)14-11(16)7-8-13(17)18-14/h3-8H,9H2,1-2H3.
What are the key properties of 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 35136218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).