N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide

C13H16Cl2N2O2 — CID 113252056

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)CCC1CCCO1
InChIInChI=1S/C13H16Cl2N2O2/c1-8-7-10(14)16-13(15)12(8)17-11(18)5-4-9-3-2-6-19-9/h7,9H,2-6H2,1H3,(H,17,18)
InChIKeyPWYWPVCAJGVFNR-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.59
Rot. Bonds4

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide (PubChem CID 113252056) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
PubChem CID113252056
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)CCC1CCCO1
InChIInChI=1S/C13H16Cl2N2O2/c1-8-7-10(14)16-13(15)12(8)17-11(18)5-4-9-3-2-6-19-9/h7,9H,2-6H2,1H3,(H,17,18)
InChIKeyPWYWPVCAJGVFNR-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
CID 104819846
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 56786553
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
CID 114051060
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide (CID 113252056) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide is Cc1cc(Cl)nc(Cl)c1NC(=O)CCC1CCCO1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is PWYWPVCAJGVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8-7-10(14)16-13(15)12(8)17-11(18)5-4-9-3-2-6-19-9/h7,9H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 303.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 113252056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).