4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine

C14H17N — CID 157279403

IUPAC4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine
SMILES[2H]C([2H])([2H])C1=CN=C(c2ccc(C([2H])([2H])[2H])cc2)CC1C
InChIInChI=1S/C14H17N/c1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14/h4-7,9,11H,8H2,1-3H3/i1D3,3D3
InChIKeyMVXRCFYDVNSGLQ-WTJPRRJNSA-N
MW205.33 g/mol
LogP3.73
Rot. Bonds3

About 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine

4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine (PubChem CID 157279403) has the molecular formula C14H17N and a molecular weight of 205.33 g/mol. Its IUPAC name is 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine
PubChem CID157279403
Molecular FormulaC14H17N
Molecular Weight205.33 g/mol
Exact Mass205.17
IUPAC Name4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine
SMILES[2H]C([2H])([2H])C1=CN=C(c2ccc(C([2H])([2H])[2H])cc2)CC1C
InChIInChI=1S/C14H17N/c1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14/h4-7,9,11H,8H2,1-3H3/i1D3,3D3
InChIKeyMVXRCFYDVNSGLQ-WTJPRRJNSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine?
The IUPAC name of 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine (CID 157279403) is 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine.
What is the SMILES notation for 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine?
The canonical SMILES for 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine is [2H]C([2H])([2H])C1=CN=C(c2ccc(C([2H])([2H])[2H])cc2)CC1C.
What is the InChIKey of 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine?
The InChIKey is MVXRCFYDVNSGLQ-WTJPRRJNSA-N. The full InChI is InChI=1S/C14H17N/c1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14/h4-7,9,11H,8H2,1-3H3/i1D3,3D3.
What are the key properties of 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine?
4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine has a molecular weight of 205.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]-3,4-dihydropyridine is sourced from PubChem (CID 157279403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).