2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

C9H9Cl2N3O2 — CID 38004196

IUPAC2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H9Cl2N3O2/c1-12-8(15)4-13-9(16)5-2-6(10)14-7(11)3-5/h2-3H,4H2,1H3,(H,12,15)(H,13,16)
InChIKeyHIMLCHYAFWMQBP-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.86
Rot. Bonds3

About 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 38004196) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID38004196
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H9Cl2N3O2/c1-12-8(15)4-13-9(16)5-2-6(10)14-7(11)3-5/h2-3H,4H2,1H3,(H,12,15)(H,13,16)
InChIKeyHIMLCHYAFWMQBP-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

2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 38004196) is 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is CNC(=O)CNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is HIMLCHYAFWMQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c1-12-8(15)4-13-9(16)5-2-6(10)14-7(11)3-5/h2-3H,4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-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 2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 38004196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).