N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide

C11H13ClN2O — CID 103730487

IUPACN-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H13ClN2O/c1-3-4-5-10(15)14-9-6-8(2)11(12)13-7-9/h3,6-7H,1,4-5H2,2H3,(H,14,15)
InChIKeyISQVRQBBOAFEQU-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.95
Rot. Bonds4

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

N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide (PubChem CID 103730487) 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)pent-4-enamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
PubChem CID103730487
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H13ClN2O/c1-3-4-5-10(15)14-9-6-8(2)11(12)13-7-9/h3,6-7H,1,4-5H2,2H3,(H,14,15)
InChIKeyISQVRQBBOAFEQU-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide (CID 103730487) is N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide is C=CCCC(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide?
The InChIKey is ISQVRQBBOAFEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-4-5-10(15)14-9-6-8(2)11(12)13-7-9/h3,6-7H,1,4-5H2,2H3,(H,14,15).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide?
N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide has a molecular weight of 224.69 g/mol, XLogP of 2.95, 4 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)pent-4-enamide is sourced from PubChem (CID 103730487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).