2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

C28H40N6O3 — CID 154962891

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3(C)CO)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H40N6O3/c1-26(2,18-35)32-22-9-8-20(24(30-22)33-16-13-28(11-12-28)14-17-33)25(37)31-21-6-4-7-23(29-21)34-15-5-10-27(34,3)19-36/h4,6-9,35-36H,5,10-19H2,1-3H3,(H,30,32)(H,29,31,37)
InChIKeyAGRNYEFOKSKNPE-UHFFFAOYSA-N
MW508.67 g/mol
LogP3.64
Rot. Bonds8

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 154962891) has the molecular formula C28H40N6O3 and a molecular weight of 508.67 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
PubChem CID154962891
Molecular FormulaC28H40N6O3
Molecular Weight508.67 g/mol
Exact Mass508.32
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3(C)CO)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H40N6O3/c1-26(2,18-35)32-22-9-8-20(24(30-22)33-16-13-28(11-12-28)14-17-33)25(37)31-21-6-4-7-23(29-21)34-15-5-10-27(34,3)19-36/h4,6-9,35-36H,5,10-19H2,1-3H3,(H,30,32)(H,29,31,37)
InChIKeyAGRNYEFOKSKNPE-UHFFFAOYSA-N
XLogP3.64
TPSA113.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (CID 154962891) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3(C)CO)n2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is AGRNYEFOKSKNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O3/c1-26(2,18-35)32-22-9-8-20(24(30-22)33-16-13-28(11-12-28)14-17-33)25(37)31-21-6-4-7-23(29-21)34-15-5-10-27(34,3)19-36/h4,6-9,35-36H,5,10-19H2,1-3H3,(H,30,32)(H,29,31,37).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 3.64, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 154962891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).