N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide

C10H12Cl2N2O — CID 546630

IUPACN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C
InChIInChI=1S/C10H12Cl2N2O/c1-4-7(15)14-9-5(2)8(11)6(3)13-10(9)12/h4H2,1-3H3,(H,14,15)
InChIKeyFARFNUWTTHCESB-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.35
Rot. Bonds2

About N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide

N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide (PubChem CID 546630) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide
PubChem CID546630
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC NameN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C
InChIInChI=1S/C10H12Cl2N2O/c1-4-7(15)14-9-5(2)8(11)6(3)13-10(9)12/h4H2,1-3H3,(H,14,15)
InChIKeyFARFNUWTTHCESB-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide?
The IUPAC name of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide (CID 546630) is N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide?
The canonical SMILES for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide is CCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C.
What is the InChIKey of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide?
The InChIKey is FARFNUWTTHCESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-4-7(15)14-9-5(2)8(11)6(3)13-10(9)12/h4H2,1-3H3,(H,14,15).
What are the key properties of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide?
N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide has a molecular weight of 247.12 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 546630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).