3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide

C9H9Cl2N3O2 — CID 32898227

IUPAC3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCNC(=O)CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2N3O2/c1-12-7(15)4-13-9(16)8-5(10)2-3-6(11)14-8/h2-3H,4H2,1H3,(H,12,15)(H,13,16)
InChIKeyGFCGDLGQVALOSL-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.86
Rot. Bonds3

About 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 32898227) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID32898227
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCNC(=O)CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2N3O2/c1-12-7(15)4-13-9(16)8-5(10)2-3-6(11)14-8/h2-3H,4H2,1H3,(H,12,15)(H,13,16)
InChIKeyGFCGDLGQVALOSL-UHFFFAOYSA-N
XLogP0.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 50.86
H-Bond Donors ≤ 52
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-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63236046
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 32898227) is 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide is CNC(=O)CNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is GFCGDLGQVALOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c1-12-7(15)4-13-9(16)8-5(10)2-3-6(11)14-8/h2-3H,4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 262.10 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 32898227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).