2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide

C8H10Cl2N2O2 — CID 134477966

IUPAC2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide
SMILESCON(C)C(=O)C1=CNC(Cl)C=C1Cl
InChIInChI=1S/C8H10Cl2N2O2/c1-12(14-2)8(13)5-4-11-7(10)3-6(5)9/h3-4,7,11H,1-2H3
InChIKeyUNUKHIZWLVYACX-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.18
Rot. Bonds2

About 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide

2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide (PubChem CID 134477966) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide
PubChem CID134477966
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide
SMILESCON(C)C(=O)C1=CNC(Cl)C=C1Cl
InChIInChI=1S/C8H10Cl2N2O2/c1-12(14-2)8(13)5-4-11-7(10)3-6(5)9/h3-4,7,11H,1-2H3
InChIKeyUNUKHIZWLVYACX-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide
CID 142928849
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide
CID 130683669
N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide
CID 87462651
2,6-dichloro-N-methoxy-N,3-dimethylbenzamide
CID 171368105
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium
CID 145428350
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
2-chloro-N-methoxy-N,6-dimethylpyridine-3-carboxamide
CID 53416990
4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide
CID 23003586

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide?
The IUPAC name of 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide (CID 134477966) is 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide?
The canonical SMILES for 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide is CON(C)C(=O)C1=CNC(Cl)C=C1Cl.
What is the InChIKey of 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide?
The InChIKey is UNUKHIZWLVYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-12(14-2)8(13)5-4-11-7(10)3-6(5)9/h3-4,7,11H,1-2H3.
What are the key properties of 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide?
2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide has a molecular weight of 237.09 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methoxy-N-methyl-1,2-dihydropyridine-5-carboxamide is sourced from PubChem (CID 134477966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).