N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide

C19H21N3O — CID 59023546

IUPACN-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C([2H])([2H])[2H])cc1
InChIInChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3/i1D3,3D3
InChIKeyZAFYATHCZYHLPB-WTJPRRJNSA-N
MW313.43 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide

N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide (PubChem CID 59023546) has the molecular formula C19H21N3O and a molecular weight of 313.43 g/mol. Its IUPAC name is N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
PubChem CID59023546
Molecular FormulaC19H21N3O
Molecular Weight313.43 g/mol
Exact Mass313.21
IUPAC NameN-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C([2H])([2H])[2H])cc1
InChIInChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3/i1D3,3D3
InChIKeyZAFYATHCZYHLPB-WTJPRRJNSA-N
XLogP3.25
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023438
2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
CID 59023533
2-[5-deuterio-2-(4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 59293817
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 10319898
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
CID 77342331
2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 46203921
N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 59023498
N,N-dimethyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 13267864
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2,2-dideuterio-2-[6-methyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
CID 59023442

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
The IUPAC name of N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide (CID 59023546) is N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
The canonical SMILES for N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide is [2H]C([2H])([2H])c1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C([2H])([2H])[2H])cc1.
What is the InChIKey of N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
The InChIKey is ZAFYATHCZYHLPB-WTJPRRJNSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3/i1D3,3D3.
What are the key properties of N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide has a molecular weight of 313.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 59023546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).