6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide

C14H19N3O — CID 159807807

IUPAC6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cnc2ccc(C(C)(C)C)cn12)C([2H])([2H])[2H]
InChIInChI=1S/C14H19N3O/c1-14(2,3)10-6-7-12-15-8-11(17(12)9-10)13(18)16(4)5/h6-9H,1-5H3/i4D3,5D3
InChIKeyWJRLVAGONOAKDQ-RKAHMFOGSA-N
MW251.36 g/mol
LogP2.33
Rot. Bonds3

About 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 159807807) has the molecular formula C14H19N3O and a molecular weight of 251.36 g/mol. Its IUPAC name is 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID159807807
Molecular FormulaC14H19N3O
Molecular Weight251.36 g/mol
Exact Mass251.19
IUPAC Name6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1cnc2ccc(C(C)(C)C)cn12)C([2H])([2H])[2H]
InChIInChI=1S/C14H19N3O/c1-14(2,3)10-6-7-12-15-8-11(17(12)9-10)13(18)16(4)5/h6-9H,1-5H3/i4D3,5D3
InChIKeyWJRLVAGONOAKDQ-RKAHMFOGSA-N
XLogP2.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 159807807) is 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is [2H]C([2H])([2H])N(C(=O)c1cnc2ccc(C(C)(C)C)cn12)C([2H])([2H])[2H].
What is the InChIKey of 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WJRLVAGONOAKDQ-RKAHMFOGSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)10-6-7-12-15-8-11(17(12)9-10)13(18)16(4)5/h6-9H,1-5H3/i4D3,5D3.
What are the key properties of 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 251.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 159807807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).