2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide

C12H17Cl2N3O2 — CID 114127211

IUPAC2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
SMILESCN(C)CCOCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H17Cl2N3O2/c1-17(2)6-8-19-7-5-15-12(18)9-3-4-10(13)16-11(9)14/h3-4H,5-8H2,1-2H3,(H,15,18)
InChIKeyWRCSOIDUFJRNAC-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.70
Rot. Bonds7

About 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide

2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide (PubChem CID 114127211) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
PubChem CID114127211
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
SMILESCN(C)CCOCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H17Cl2N3O2/c1-17(2)6-8-19-7-5-15-12(18)9-3-4-10(13)16-11(9)14/h3-4H,5-8H2,1-2H3,(H,15,18)
InChIKeyWRCSOIDUFJRNAC-UHFFFAOYSA-N
XLogP1.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
CID 106812685
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide (CID 114127211) is 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide is CN(C)CCOCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide?
The InChIKey is WRCSOIDUFJRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2/c1-17(2)6-8-19-7-5-15-12(18)9-3-4-10(13)16-11(9)14/h3-4H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide?
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide has a molecular weight of 306.19 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 114127211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).