N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

C15H20BN3O3 — CID 155787551

IUPACN-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
InChIInChI=1S/C15H20BN3O3/c1-14(2)15(3,4)22-16(21-14)10-6-7-12-18-8-11(13(20)17-5)19(12)9-10/h6-9H,1-5H3,(H,17,20)
InChIKeyYPFMKPMXDDFNDL-UHFFFAOYSA-N
MW301.16 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155787551) has the molecular formula C15H20BN3O3 and a molecular weight of 301.16 g/mol. Its IUPAC name is N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155787551
Molecular FormulaC15H20BN3O3
Molecular Weight301.16 g/mol
Exact Mass301.16
IUPAC NameN-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
InChIInChI=1S/C15H20BN3O3/c1-14(2)15(3,4)22-16(21-14)10-6-7-12-18-8-11(13(20)17-5)19(12)9-10/h6-9H,1-5H3,(H,17,20)
InChIKeyYPFMKPMXDDFNDL-UHFFFAOYSA-N
XLogP0.99
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 155787551) is N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.
What is the InChIKey of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YPFMKPMXDDFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BN3O3/c1-14(2)15(3,4)22-16(21-14)10-6-7-12-18-8-11(13(20)17-5)19(12)9-10/h6-9H,1-5H3,(H,17,20).
What are the key properties of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 301.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155787551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).