3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide

C8H8Cl2N2O2 — CID 60644776

IUPAC3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-12(14-2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3
InChIKeyAUBSMJXJFGVGJU-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.02
Rot. Bonds2

About 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide

3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 60644776) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID60644776
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-12(14-2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3
InChIKeyAUBSMJXJFGVGJU-UHFFFAOYSA-N
XLogP2.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 172555899
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420554
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 78780702
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 62053831
3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
CID 95034090

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide (CID 60644776) is 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide is CON(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is AUBSMJXJFGVGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-12(14-2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3.
What are the key properties of 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 235.07 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 60644776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).