2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide

C11H13Cl3N2O2 — CID 100773444

IUPAC2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
SMILESCCCOc1ncc(NC(=O)C(Cl)(Cl)Cl)cc1C
InChIInChI=1S/C11H13Cl3N2O2/c1-3-4-18-9-7(2)5-8(6-15-9)16-10(17)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyHJEHDSIWTCVLFU-UHFFFAOYSA-N
MW311.60 g/mol
LogP3.49
Rot. Bonds4

About 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide

2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide (PubChem CID 100773444) has the molecular formula C11H13Cl3N2O2 and a molecular weight of 311.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
PubChem CID100773444
Molecular FormulaC11H13Cl3N2O2
Molecular Weight311.60 g/mol
Exact Mass310.00
IUPAC Name2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
SMILESCCCOc1ncc(NC(=O)C(Cl)(Cl)Cl)cc1C
InChIInChI=1S/C11H13Cl3N2O2/c1-3-4-18-9-7(2)5-8(6-15-9)16-10(17)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyHJEHDSIWTCVLFU-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
CID 100778809
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylpropanamide
CID 100775954
(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776691
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790
2-methoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylbutanamide
CID 133205549
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-cyclopropyl-2-methoxypropanamide
CID 100775841
N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777968
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylheptanamide
CID 133205786
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylbutanamide
CID 100774062
1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776998

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide (CID 100773444) is 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide is CCCOc1ncc(NC(=O)C(Cl)(Cl)Cl)cc1C.
What is the InChIKey of 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide?
The InChIKey is HJEHDSIWTCVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O2/c1-3-4-18-9-7(2)5-8(6-15-9)16-10(17)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide?
2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide has a molecular weight of 311.60 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 100773444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).