N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide

C26H29N3O — CID 42694530

IUPACN-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
SMILESCc1ccn2c(NC(=O)C34CC5CC(CC(C5)C3)C4)c(-c3ccccc3C)nc2c1
InChIInChI=1S/C26H29N3O/c1-16-7-8-29-22(9-16)27-23(21-6-4-3-5-17(21)2)24(29)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,10-15H2,1-2H3,(H,28,30)
InChIKeyCNRZQKSSQGVKQA-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.77
Rot. Bonds3

About N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide

N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide (PubChem CID 42694530) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
PubChem CID42694530
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
SMILESCc1ccn2c(NC(=O)C34CC5CC(CC(C5)C3)C4)c(-c3ccccc3C)nc2c1
InChIInChI=1S/C26H29N3O/c1-16-7-8-29-22(9-16)27-23(21-6-4-3-5-17(21)2)24(29)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,10-15H2,1-2H3,(H,28,30)
InChIKeyCNRZQKSSQGVKQA-UHFFFAOYSA-N
XLogP5.77
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide (CID 42694530) is N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide is Cc1ccn2c(NC(=O)C34CC5CC(CC(C5)C3)C4)c(-c3ccccc3C)nc2c1.
What is the InChIKey of N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The InChIKey is CNRZQKSSQGVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-16-7-8-29-22(9-16)27-23(21-6-4-3-5-17(21)2)24(29)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,10-15H2,1-2H3,(H,28,30).
What are the key properties of N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 42694530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).