2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide

C12H14Cl2N2O — CID 103721956

IUPAC2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
SMILESCCC1(NC(=O)c2ccc(Cl)nc2Cl)CCC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-12(6-3-7-12)16-11(17)8-4-5-9(13)15-10(8)14/h4-5H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDOIRQCYBVIZZAU-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.45
Rot. Bonds3

About 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide

2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide (PubChem CID 103721956) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
PubChem CID103721956
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
SMILESCCC1(NC(=O)c2ccc(Cl)nc2Cl)CCC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-12(6-3-7-12)16-11(17)8-4-5-9(13)15-10(8)14/h4-5H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDOIRQCYBVIZZAU-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.45
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

2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 115878600
2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 106994170
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
2-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 113489132
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
2,6-dichloro-N-(3-cyanothiolan-3-yl)pyridine-3-carboxamide
CID 103772029
6-(ethylamino)-N-(1-ethylcyclobutyl)pyridazine-3-carboxamide
CID 113489122
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide (CID 103721956) is 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide is CCC1(NC(=O)c2ccc(Cl)nc2Cl)CCC1.
What is the InChIKey of 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is DOIRQCYBVIZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-12(6-3-7-12)16-11(17)8-4-5-9(13)15-10(8)14/h4-5H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide?
2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 103721956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).