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

C26H38N6O3 — CID 150007737

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H38N6O3/c1-24(2,16-33)30-20-7-5-6-19(27-20)29-23(35)18-8-9-21(31-25(3,4)17-34)28-22(18)32-14-12-26(10-11-26)13-15-32/h5-9,33-34H,10-17H2,1-4H3,(H,28,31)(H2,27,29,30,35)
InChIKeyDCQKTIIJEWMDOZ-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.47
Rot. Bonds9

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

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 150007737) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID150007737
Molecular FormulaC26H38N6O3
Molecular Weight482.63 g/mol
Exact Mass482.30
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H38N6O3/c1-24(2,16-33)30-20-7-5-6-19(27-20)29-23(35)18-8-9-21(31-25(3,4)17-34)28-22(18)32-14-12-26(10-11-26)13-15-32/h5-9,33-34H,10-17H2,1-4H3,(H,28,31)(H2,27,29,30,35)
InChIKeyDCQKTIIJEWMDOZ-UHFFFAOYSA-N
XLogP3.47
TPSA122.64 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide (CID 150007737) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide is CC(C)(CO)Nc1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DCQKTIIJEWMDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-24(2,16-33)30-20-7-5-6-19(27-20)29-23(35)18-8-9-21(31-25(3,4)17-34)28-22(18)32-14-12-26(10-11-26)13-15-32/h5-9,33-34H,10-17H2,1-4H3,(H,28,31)(H2,27,29,30,35).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 3.47, 9 rotatable bonds, 5 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)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 150007737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).