N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide

C22H20F3N5O — CID 171484470

IUPACN-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)C1Cc2ccccc2N1c1cc(C(F)(F)F)cc(C)n1)c1cccc(N)n1
InChIInChI=1S/C22H20F3N5O/c1-13-10-15(22(23,24)25)12-20(27-13)30-16-7-4-3-6-14(16)11-17(30)21(31)29(2)19-9-5-8-18(26)28-19/h3-10,12,17H,11H2,1-2H3,(H2,26,28)/i2D3
InChIKeyRUQJZZLHHVZECI-BMSJAHLVSA-N
MW430.45 g/mol
LogP4.11
Rot. Bonds4

About N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide

N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 171484470) has the molecular formula C22H20F3N5O and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide
PubChem CID171484470
Molecular FormulaC22H20F3N5O
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC NameN-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)C1Cc2ccccc2N1c1cc(C(F)(F)F)cc(C)n1)c1cccc(N)n1
InChIInChI=1S/C22H20F3N5O/c1-13-10-15(22(23,24)25)12-20(27-13)30-16-7-4-3-6-14(16)11-17(30)21(31)29(2)19-9-5-8-18(26)28-19/h3-10,12,17H,11H2,1-2H3,(H2,26,28)/i2D3
InChIKeyRUQJZZLHHVZECI-BMSJAHLVSA-N
XLogP4.11
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide (CID 171484470) is N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide is [2H]C([2H])([2H])N(C(=O)C1Cc2ccccc2N1c1cc(C(F)(F)F)cc(C)n1)c1cccc(N)n1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is RUQJZZLHHVZECI-BMSJAHLVSA-N. The full InChI is InChI=1S/C22H20F3N5O/c1-13-10-15(22(23,24)25)12-20(27-13)30-16-7-4-3-6-14(16)11-17(30)21(31)29(2)19-9-5-8-18(26)28-19/h3-10,12,17H,11H2,1-2H3,(H2,26,28)/i2D3.
What are the key properties of N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide?
N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 171484470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).