N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide

C12H16Cl2N2O — CID 43090789

IUPACN-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-5-6-16(4-2)12(17)9-7-10(13)15-11(14)8-9/h7-8H,3-6H2,1-2H3
InChIKeyQHIIFQAADXBNJC-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.65
Rot. Bonds5

About N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide

N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide (PubChem CID 43090789) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
PubChem CID43090789
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-5-6-16(4-2)12(17)9-7-10(13)15-11(14)8-9/h7-8H,3-6H2,1-2H3
InChIKeyQHIIFQAADXBNJC-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
6-amino-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide
CID 55043625
2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379790
N-butyl-3,4-dichloro-N-ethyl-5-nitrobenzamide
CID 43215514
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
N-butyl-N-ethyl-1H-indazole-6-carboxamide
CID 55023829
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
N-butyl-1-chloro-N-ethylisoquinoline-3-carboxamide
CID 43343375

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide (CID 43090789) is N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide is CCCCN(CC)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide?
The InChIKey is QHIIFQAADXBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-5-6-16(4-2)12(17)9-7-10(13)15-11(14)8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide?
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide has a molecular weight of 275.18 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 43090789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).