N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide

C10H11ClN2O — CID 130497741

IUPACN-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
SMILESC=CCC(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C10H11ClN2O/c1-3-4-10(14)13-8-6-12-9(11)5-7(8)2/h3,5-6H,1,4H2,2H3,(H,13,14)
InChIKeyPVKIFCDJGWEQGG-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.56
Rot. Bonds3

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

N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide (PubChem CID 130497741) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
PubChem CID130497741
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
SMILESC=CCC(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C10H11ClN2O/c1-3-4-10(14)13-8-6-12-9(11)5-7(8)2/h3,5-6H,1,4H2,2H3,(H,13,14)
InChIKeyPVKIFCDJGWEQGG-UHFFFAOYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.56
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide (CID 130497741) is N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide is C=CCC(=O)Nc1cnc(Cl)cc1C.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
The InChIKey is PVKIFCDJGWEQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-3-4-10(14)13-8-6-12-9(11)5-7(8)2/h3,5-6H,1,4H2,2H3,(H,13,14).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide?
N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide has a molecular weight of 210.66 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide is sourced from PubChem (CID 130497741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).