2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide

C11H14Cl3N3O — CID 102750804

IUPAC2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N3O/c1-6(2)4-17(5-9(15)18)11-8(13)3-7(12)10(14)16-11/h3,6H,4-5H2,1-2H3,(H2,15,18)
InChIKeyBFAZAEYMGLXILZ-UHFFFAOYSA-N
MW310.61 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide

2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide (PubChem CID 102750804) has the molecular formula C11H14Cl3N3O and a molecular weight of 310.61 g/mol. Its IUPAC name is 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
PubChem CID102750804
Molecular FormulaC11H14Cl3N3O
Molecular Weight310.61 g/mol
Exact Mass309.02
IUPAC Name2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N3O/c1-6(2)4-17(5-9(15)18)11-8(13)3-7(12)10(14)16-11/h3,6H,4-5H2,1-2H3,(H2,15,18)
InChIKeyBFAZAEYMGLXILZ-UHFFFAOYSA-N
XLogP2.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 52.99
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

2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103321215
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80820404
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
CID 79341806
2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide
CID 80687978
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103326548
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
CID 55003155
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
The IUPAC name of 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide (CID 102750804) is 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide is CC(C)CN(CC(N)=O)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
The InChIKey is BFAZAEYMGLXILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N3O/c1-6(2)4-17(5-9(15)18)11-8(13)3-7(12)10(14)16-11/h3,6H,4-5H2,1-2H3,(H2,15,18).
What are the key properties of 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide has a molecular weight of 310.61 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 102750804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).