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

C19H27N3O — CID 165414023

IUPACN-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCC3CCCCCCC3)n2c1
InChIInChI=1S/C19H27N3O/c1-14-10-11-17-21-15(2)18(22(17)13-14)19(23)20-12-16-8-6-4-3-5-7-9-16/h10-11,13,16H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyQTMOCILAXLBHIV-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.04
Rot. Bonds3

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

N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165414023) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165414023
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCC3CCCCCCC3)n2c1
InChIInChI=1S/C19H27N3O/c1-14-10-11-17-21-15(2)18(22(17)13-14)19(23)20-12-16-8-6-4-3-5-7-9-16/h10-11,13,16H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyQTMOCILAXLBHIV-UHFFFAOYSA-N
XLogP4.04
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 165414023) is N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCC3CCCCCCC3)n2c1.
What is the InChIKey of N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QTMOCILAXLBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14-10-11-17-21-15(2)18(22(17)13-14)19(23)20-12-16-8-6-4-3-5-7-9-16/h10-11,13,16H,3-9,12H2,1-2H3,(H,20,23).
What are the key properties of N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165414023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).