2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C27H38N6O3 — CID 153157311

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1COCCN1c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C27H38N6O3/c1-19-17-36-16-15-33(19)23-6-4-5-21(28-23)30-25(35)20-7-8-22(31-26(2,3)18-34)29-24(20)32-13-11-27(9-10-27)12-14-32/h4-8,19,34H,9-18H2,1-3H3,(H,29,31)(H,28,30,35)/t19-/m1/s1
InChIKeyWBQVNPREVVLJLB-LJQANCHMSA-N
MW494.64 g/mol
LogP3.52
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 153157311) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID153157311
Molecular FormulaC27H38N6O3
Molecular Weight494.64 g/mol
Exact Mass494.30
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1COCCN1c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C27H38N6O3/c1-19-17-36-16-15-33(19)23-6-4-5-21(28-23)30-25(35)20-7-8-22(31-26(2,3)18-34)29-24(20)32-13-11-27(9-10-27)12-14-32/h4-8,19,34H,9-18H2,1-3H3,(H,29,31)(H,28,30,35)/t19-/m1/s1
InChIKeyWBQVNPREVVLJLB-LJQANCHMSA-N
XLogP3.52
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]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)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 153157311) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-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-[(3R)-3-methylmorpholin-4-yl]-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1COCCN1c1cccc(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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is WBQVNPREVVLJLB-LJQANCHMSA-N. The full InChI is InChI=1S/C27H38N6O3/c1-19-17-36-16-15-33(19)23-6-4-5-21(28-23)30-25(35)20-7-8-22(31-26(2,3)18-34)29-24(20)32-13-11-27(9-10-27)12-14-32/h4-8,19,34H,9-18H2,1-3H3,(H,29,31)(H,28,30,35)/t19-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 153157311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).