5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide

C11H14Cl2N2O2 — CID 60742567

IUPAC5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-3-15(4-5-16)11(17)8-6-9(12)10(13)14-7-8/h6-7,16H,2-5H2,1H3
InChIKeyCMNSWPLSYSISAC-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.23
Rot. Bonds5

About 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide

5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide (PubChem CID 60742567) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
PubChem CID60742567
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-3-15(4-5-16)11(17)8-6-9(12)10(13)14-7-8/h6-7,16H,2-5H2,1H3
InChIKeyCMNSWPLSYSISAC-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82961174
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
CID 55042069
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
CID 62175880
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
5,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-propylpyridine-3-carboxamide
CID 78789197
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide (CID 60742567) is 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide is CCCN(CCO)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
The InChIKey is CMNSWPLSYSISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-3-15(4-5-16)11(17)8-6-9(12)10(13)14-7-8/h6-7,16H,2-5H2,1H3.
What are the key properties of 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide?
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 60742567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).