8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H33N3O3 — CID 90115553

IUPAC8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCC(CO)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C22H33N3O3/c1-3-4-11-18(14-26)24-22(27)20-16(2)23-21-19(12-8-13-25(20)21)28-15-17-9-6-5-7-10-17/h8,12-13,17-18,26H,3-7,9-11,14-15H2,1-2H3,(H,24,27)
InChIKeyOTXPQPNGDAFYSK-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.88
Rot. Bonds9

About 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90115553) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90115553
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCC(CO)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C22H33N3O3/c1-3-4-11-18(14-26)24-22(27)20-16(2)23-21-19(12-8-13-25(20)21)28-15-17-9-6-5-7-10-17/h8,12-13,17-18,26H,3-7,9-11,14-15H2,1-2H3,(H,24,27)
InChIKeyOTXPQPNGDAFYSK-UHFFFAOYSA-N
XLogP3.88
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90115553) is 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCCC(CO)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12.
What is the InChIKey of 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OTXPQPNGDAFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-4-11-18(14-26)24-22(27)20-16(2)23-21-19(12-8-13-25(20)21)28-15-17-9-6-5-7-10-17/h8,12-13,17-18,26H,3-7,9-11,14-15H2,1-2H3,(H,24,27).
What are the key properties of 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90115553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).