5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide

C13H17N3O — CID 171776789

IUPAC5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(C2=CCNCC2C)cn1
InChIInChI=1S/C13H17N3O/c1-9-7-15-6-5-11(9)10-3-4-12(16-8-10)13(17)14-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,14,17)/i2D3
InChIKeyYLMMHELELZWTAX-BMSJAHLVSA-N
MW234.32 g/mol
LogP1.06
Rot. Bonds3

About 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide

5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide (PubChem CID 171776789) has the molecular formula C13H17N3O and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide
PubChem CID171776789
Molecular FormulaC13H17N3O
Molecular Weight234.32 g/mol
Exact Mass234.16
IUPAC Name5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(C2=CCNCC2C)cn1
InChIInChI=1S/C13H17N3O/c1-9-7-15-6-5-11(9)10-3-4-12(16-8-10)13(17)14-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,14,17)/i2D3
InChIKeyYLMMHELELZWTAX-BMSJAHLVSA-N
XLogP1.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide (CID 171776789) is 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide is [2H]C([2H])([2H])NC(=O)c1ccc(C2=CCNCC2C)cn1.
What is the InChIKey of 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide?
The InChIKey is YLMMHELELZWTAX-BMSJAHLVSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-15-6-5-11(9)10-3-4-12(16-8-10)13(17)14-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,14,17)/i2D3.
What are the key properties of 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide?
5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-N-(trideuteriomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171776789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).