2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide

C12H14Cl2N2O2 — CID 102612131

IUPAC2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
SMILESCCOC1CC(NC(=O)c2cc(Cl)ncc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O2/c1-2-18-8-3-7(4-8)16-12(17)9-5-11(14)15-6-10(9)13/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyJSZMSRWTUBCEFA-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.69
Rot. Bonds4

About 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide

2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide (PubChem CID 102612131) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
PubChem CID102612131
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
SMILESCCOC1CC(NC(=O)c2cc(Cl)ncc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O2/c1-2-18-8-3-7(4-8)16-12(17)9-5-11(14)15-6-10(9)13/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyJSZMSRWTUBCEFA-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.69
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

6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide
CID 114120804
2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
CID 126830073
2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
CID 105058307
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
tert-butyl 3-[(2,5-dichloropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate
CID 172648294
2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide (CID 102612131) is 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide is CCOC1CC(NC(=O)c2cc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide?
The InChIKey is JSZMSRWTUBCEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-18-8-3-7(4-8)16-12(17)9-5-11(14)15-6-10(9)13/h5-8H,2-4H2,1H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 102612131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).