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

C27H37N5O3 — CID 152608879

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(C3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C27H37N5O3/c1-26(2,18-33)31-23-7-6-20(24(29-23)32-14-12-27(10-11-27)13-15-32)25(34)30-22-5-3-4-21(28-22)19-8-16-35-17-9-19/h3-7,19,33H,8-18H2,1-2H3,(H,29,31)(H,28,30,34)
InChIKeyYZCAJFFLLJZRBX-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.19
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-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-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 152608879) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-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-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID152608879
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(C3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C27H37N5O3/c1-26(2,18-33)31-23-7-6-20(24(29-23)32-14-12-27(10-11-27)13-15-32)25(34)30-22-5-3-4-21(28-22)19-8-16-35-17-9-19/h3-7,19,33H,8-18H2,1-2H3,(H,29,31)(H,28,30,34)
InChIKeyYZCAJFFLLJZRBX-UHFFFAOYSA-N
XLogP4.19
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-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-(oxan-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-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 152608879) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-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-(oxan-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-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(C3CCOCC3)n2)c(N2CCC3(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-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YZCAJFFLLJZRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-26(2,18-33)31-23-7-6-20(24(29-23)32-14-12-27(10-11-27)13-15-32)25(34)30-22-5-3-4-21(28-22)19-8-16-35-17-9-19/h3-7,19,33H,8-18H2,1-2H3,(H,29,31)(H,28,30,34).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(oxan-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-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 4.19, 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-[6-(oxan-4-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 152608879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).