5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane

C9H12Cl2N2O2 — CID 143700585

IUPAC5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
SMILESCC.CONC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O2.C2H6/c1-13-11-7(12)4-2-5(8)6(9)10-3-4;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyPQIWAOJWYIIAOP-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.71
Rot. Bonds2

About 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane

5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane (PubChem CID 143700585) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
PubChem CID143700585
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
SMILESCC.CONC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O2.C2H6/c1-13-11-7(12)4-2-5(8)6(9)10-3-4;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyPQIWAOJWYIIAOP-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.71
H-Bond Donors ≤ 51
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

5,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723834
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
2,3-dichloro-5-(1-methoxyethenyl)pyridine
CID 89298728
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane?
The IUPAC name of 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane (CID 143700585) is 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane.
What is the SMILES notation for 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane?
The canonical SMILES for 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane is CC.CONC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane?
The InChIKey is PQIWAOJWYIIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2.C2H6/c1-13-11-7(12)4-2-5(8)6(9)10-3-4;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane?
5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane has a molecular weight of 251.11 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane is sourced from PubChem (CID 143700585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).