2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide

C27H33N5O3 — CID 155781253

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cnc(-c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)o1
InChIInChI=1S/C27H33N5O3/c1-18-16-28-25(35-18)19-5-4-6-20(15-19)29-24(34)21-7-8-22(31-26(2,3)17-33)30-23(21)32-13-11-27(9-10-27)12-14-32/h4-8,15-16,33H,9-14,17H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyPMDDADZUPRRHFU-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.86
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 155781253) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID155781253
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cnc(-c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)o1
InChIInChI=1S/C27H33N5O3/c1-18-16-28-25(35-18)19-5-4-6-20(15-19)29-24(34)21-7-8-22(31-26(2,3)17-33)30-23(21)32-13-11-27(9-10-27)12-14-32/h4-8,15-16,33H,9-14,17H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyPMDDADZUPRRHFU-UHFFFAOYSA-N
XLogP4.86
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide (CID 155781253) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]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-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide is Cc1cnc(-c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)o1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is PMDDADZUPRRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-18-16-28-25(35-18)19-5-4-6-20(15-19)29-24(34)21-7-8-22(31-26(2,3)17-33)30-23(21)32-13-11-27(9-10-27)12-14-32/h4-8,15-16,33H,9-14,17H2,1-3H3,(H,29,34)(H,30,31).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155781253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).