N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide

C23H34N4O2 — CID 77105903

IUPACN-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCC(C)c1cn2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)c2n1
InChIInChI=1S/C23H34N4O2/c1-17(2)21-16-27-9-3-4-20(22(27)25-21)23(28)24-14-18-5-10-26(11-6-18)15-19-7-12-29-13-8-19/h3-4,9,16-19H,5-8,10-15H2,1-2H3,(H,24,28)
InChIKeyMOYVDQLTPYPJGL-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds6

About N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide

N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 77105903) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID77105903
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCC(C)c1cn2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)c2n1
InChIInChI=1S/C23H34N4O2/c1-17(2)21-16-27-9-3-4-20(22(27)25-21)23(28)24-14-18-5-10-26(11-6-18)15-19-7-12-29-13-8-19/h3-4,9,16-19H,5-8,10-15H2,1-2H3,(H,24,28)
InChIKeyMOYVDQLTPYPJGL-UHFFFAOYSA-N
XLogP3.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide (CID 77105903) is N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide is CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)c2n1.
What is the InChIKey of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is MOYVDQLTPYPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17(2)21-16-27-9-3-4-20(22(27)25-21)23(28)24-14-18-5-10-26(11-6-18)15-19-7-12-29-13-8-19/h3-4,9,16-19H,5-8,10-15H2,1-2H3,(H,24,28).
What are the key properties of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide?
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 77105903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).