N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide

C11H13ClN2O — CID 103730424

IUPACN-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
SMILESCc1cc(NC(=O)C2CCC2)cnc1Cl
InChIInChI=1S/C11H13ClN2O/c1-7-5-9(6-13-10(7)12)14-11(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,14,15)
InChIKeyFJOXFJILAVFQFG-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.78
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide

N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide (PubChem CID 103730424) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
PubChem CID103730424
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
SMILESCc1cc(NC(=O)C2CCC2)cnc1Cl
InChIInChI=1S/C11H13ClN2O/c1-7-5-9(6-13-10(7)12)14-11(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,14,15)
InChIKeyFJOXFJILAVFQFG-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.78
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

N-(6-chloro-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 103730413
N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
CID 103745323
N-(6-chloro-5-methyl-3-pyridinyl)-1,1-dioxothiane-2-carboxamide
CID 104537088
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide
CID 154871816
N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103796996
N-(6-chloro-5-methyl-3-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 146089895
N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 53014777
N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide
CID 103730509
6-chloro-N-cyclooctyl-5-methylpyridin-3-amine
CID 114049267

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide (CID 103730424) is N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide is Cc1cc(NC(=O)C2CCC2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide?
The InChIKey is FJOXFJILAVFQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-5-9(6-13-10(7)12)14-11(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide is sourced from PubChem (CID 103730424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).