2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide

C11H14Cl2N2O2 — CID 43090785

IUPAC2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-5-3-4-14-11(16)8-6-9(12)15-10(13)7-8/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyAGSFRBQNFUESES-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.54
Rot. Bonds6

About 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide

2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide (PubChem CID 43090785) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
PubChem CID43090785
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-5-3-4-14-11(16)8-6-9(12)15-10(13)7-8/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyAGSFRBQNFUESES-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide (CID 43090785) is 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide is CCOCCCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide?
The InChIKey is AGSFRBQNFUESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-17-5-3-4-14-11(16)8-6-9(12)15-10(13)7-8/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 43090785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).