N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide

C12H17ClN2O2 — CID 103730322

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-17-6-4-5-11(16)15-10-7-9(2)12(13)14-8-10/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyANYZJZUOFPFBIV-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.80
Rot. Bonds6

About N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide

N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide (PubChem CID 103730322) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide
PubChem CID103730322
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-17-6-4-5-11(16)15-10-7-9(2)12(13)14-8-10/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyANYZJZUOFPFBIV-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
CID 103811529
N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
CID 103730487
N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide
CID 103908930
N-(6-chloro-5-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103730378
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
CID 71987137
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
CID 103811545
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
4-ethoxy-N-phenylbutanamide
CID 112728021
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
CID 103730347
4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide (CID 103730322) is N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide?
The InChIKey is ANYZJZUOFPFBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-17-6-4-5-11(16)15-10-7-9(2)12(13)14-8-10/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide?
N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide has a molecular weight of 256.73 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide is sourced from PubChem (CID 103730322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).