8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H31N3O3 — CID 90135195

IUPAC8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(C)cccc3C)cccn12
InChIInChI=1S/C24H31N3O3/c1-5-6-11-19(14-28)26-24(29)22-18(4)25-23-21(12-8-13-27(22)23)30-15-20-16(2)9-7-10-17(20)3/h7-10,12-13,19,28H,5-6,11,14-15H2,1-4H3,(H,26,29)/t19-/m1/s1
InChIKeyKMOPJVDIIJHMCO-LJQANCHMSA-N
MW409.53 g/mol
LogP4.12
Rot. Bonds9

About 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90135195) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90135195
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(C)cccc3C)cccn12
InChIInChI=1S/C24H31N3O3/c1-5-6-11-19(14-28)26-24(29)22-18(4)25-23-21(12-8-13-27(22)23)30-15-20-16(2)9-7-10-17(20)3/h7-10,12-13,19,28H,5-6,11,14-15H2,1-4H3,(H,26,29)/t19-/m1/s1
InChIKeyKMOPJVDIIJHMCO-LJQANCHMSA-N
XLogP4.12
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90135195) is 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(C)cccc3C)cccn12.
What is the InChIKey of 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KMOPJVDIIJHMCO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-5-6-11-19(14-28)26-24(29)22-18(4)25-23-21(12-8-13-27(22)23)30-15-20-16(2)9-7-10-17(20)3/h7-10,12-13,19,28H,5-6,11,14-15H2,1-4H3,(H,26,29)/t19-/m1/s1.
What are the key properties of 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethylphenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90135195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).