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

C27H38N6O3 — CID 150694122

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3cnc(NC(C)(C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C27H38N6O3/c1-19-17-33(13-14-36-19)24-6-4-5-22(29-24)30-25(35)20-16-28-23(31-26(2,3)18-34)15-21(20)32-11-9-27(7-8-27)10-12-32/h4-6,15-16,19,34H,7-14,17-18H2,1-3H3,(H,28,31)(H,29,30,35)/t19-/m1/s1
InChIKeyJKMNMSBJYYNWMT-LJQANCHMSA-N
MW494.64 g/mol
LogP3.52
Rot. Bonds7

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

4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 150694122) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID150694122
Molecular FormulaC27H38N6O3
Molecular Weight494.64 g/mol
Exact Mass494.30
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3cnc(NC(C)(C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C27H38N6O3/c1-19-17-33(13-14-36-19)24-6-4-5-22(29-24)30-25(35)20-16-28-23(31-26(2,3)18-34)15-21(20)32-11-9-27(7-8-27)10-12-32/h4-6,15-16,19,34H,7-14,17-18H2,1-3H3,(H,28,31)(H,29,30,35)/t19-/m1/s1
InChIKeyJKMNMSBJYYNWMT-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 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 150694122) is 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3cnc(NC(C)(C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is JKMNMSBJYYNWMT-LJQANCHMSA-N. The full InChI is InChI=1S/C27H38N6O3/c1-19-17-33(13-14-36-19)24-6-4-5-22(29-24)30-25(35)20-16-28-23(31-26(2,3)18-34)15-21(20)32-11-9-27(7-8-27)10-12-32/h4-6,15-16,19,34H,7-14,17-18H2,1-3H3,(H,28,31)(H,29,30,35)/t19-/m1/s1.
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-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 4-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 150694122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).