N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C21H27N3O — CID 165413733

IUPACN-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)n2c1
InChIInChI=1S/C21H27N3O/c1-13-3-4-18-23-14(2)19(24(18)11-13)20(25)22-12-21-8-15-5-16(9-21)7-17(6-15)10-21/h3-4,11,15-17H,5-10,12H2,1-2H3,(H,22,25)
InChIKeyICMKOXRHHDXMIP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.90
Rot. Bonds3

About N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165413733) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165413733
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)n2c1
InChIInChI=1S/C21H27N3O/c1-13-3-4-18-23-14(2)19(24(18)11-13)20(25)22-12-21-8-15-5-16(9-21)7-17(6-15)10-21/h3-4,11,15-17H,5-10,12H2,1-2H3,(H,22,25)
InChIKeyICMKOXRHHDXMIP-UHFFFAOYSA-N
XLogP3.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 165413733) is N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)n2c1.
What is the InChIKey of N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ICMKOXRHHDXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-13-3-4-18-23-14(2)19(24(18)11-13)20(25)22-12-21-8-15-5-16(9-21)7-17(6-15)10-21/h3-4,11,15-17H,5-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165413733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).