6-chloro-N-ethylpyridine-3-carboxamide

C8H9ClN2O — CID 819370

IUPAC6-chloro-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2O/c1-2-10-8(12)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H,10,12)
InChIKeyMKHJZQVGILNDFH-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.48
Rot. Bonds2

About 6-chloro-N-ethylpyridine-3-carboxamide

6-chloro-N-ethylpyridine-3-carboxamide (PubChem CID 819370) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-chloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethylpyridine-3-carboxamide
PubChem CID819370
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name6-chloro-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2O/c1-2-10-8(12)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H,10,12)
InChIKeyMKHJZQVGILNDFH-UHFFFAOYSA-N
XLogP1.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 66169235
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589643
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethylpyridine-3-carboxamide (CID 819370) is 6-chloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethylpyridine-3-carboxamide?
The InChIKey is MKHJZQVGILNDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-10-8(12)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of 6-chloro-N-ethylpyridine-3-carboxamide?
6-chloro-N-ethylpyridine-3-carboxamide has a molecular weight of 184.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 819370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).