2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

C14H20Cl2N2O2 — CID 61052289

IUPAC2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-2-3-4-5-6-18(7-8-19)14(20)11-9-12(15)17-13(16)10-11/h9-10,19H,2-8H2,1H3
InChIKeyBJNSOFLTYQSNCH-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.40
Rot. Bonds8

About 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 61052289) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID61052289
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-2-3-4-5-6-18(7-8-19)14(20)11-9-12(15)17-13(16)10-11/h9-10,19H,2-8H2,1H3
InChIKeyBJNSOFLTYQSNCH-UHFFFAOYSA-N
XLogP3.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.40
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

N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379790
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63979343
N-butyl-3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60742726
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
5-chloro-N-heptyl-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107258440

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (CID 61052289) is 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is CCCCCCN(CCO)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is BJNSOFLTYQSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-2-3-4-5-6-18(7-8-19)14(20)11-9-12(15)17-13(16)10-11/h9-10,19H,2-8H2,1H3.
What are the key properties of 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 319.23 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 61052289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).