N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide

C11H15ClN2O — CID 103730347

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H15ClN2O/c1-4-7(2)11(15)14-9-5-8(3)10(12)13-6-9/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyXOIWGIDXBLLHTL-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.03
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide (PubChem CID 103730347) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
PubChem CID103730347
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H15ClN2O/c1-4-7(2)11(15)14-9-5-8(3)10(12)13-6-9/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyXOIWGIDXBLLHTL-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.03
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)-2-methyl-3-(methylamino)propanamide
CID 103811557
N-(6-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106741523
N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113250420
(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 114049418
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
CID 103730487
N-(6-chloro-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 103730413
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
CID 103730424

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide (CID 103730347) is N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide?
The InChIKey is XOIWGIDXBLLHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-4-7(2)11(15)14-9-5-8(3)10(12)13-6-9/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide has a molecular weight of 226.71 g/mol, XLogP of 3.03, 3 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)-2-methylbutanamide is sourced from PubChem (CID 103730347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).