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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide

C27H40N6O3 — CID 151510018

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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)c1
InChIInChI=1S/C27H40N6O3/c1-18-14-21(28-22(15-18)32-26(4,5)17-35)30-24(36)19-6-7-20(31-25(2,3)16-34)29-23(19)33-12-10-27(8-9-27)11-13-33/h6-7,14-15,34-35H,8-13,16-17H2,1-5H3,(H,29,31)(H2,28,30,32,36)
InChIKeyPSGGGWWGIHZCHR-UHFFFAOYSA-N
MW496.66 g/mol
LogP3.78
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]-4-methyl-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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 151510018) has the molecular formula C27H40N6O3 and a molecular weight of 496.66 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]-4-methyl-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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide
PubChem CID151510018
Molecular FormulaC27H40N6O3
Molecular Weight496.66 g/mol
Exact Mass496.32
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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)c1
InChIInChI=1S/C27H40N6O3/c1-18-14-21(28-22(15-18)32-26(4,5)17-35)30-24(36)19-6-7-20(31-25(2,3)16-34)29-23(19)33-12-10-27(8-9-27)11-13-33/h6-7,14-15,34-35H,8-13,16-17H2,1-5H3,(H,29,31)(H2,28,30,32,36)
InChIKeyPSGGGWWGIHZCHR-UHFFFAOYSA-N
XLogP3.78
TPSA122.64 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 53.78
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]-4-methyl-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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide (CID 151510018) 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]-4-methyl-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]-4-methyl-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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)c1.
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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is PSGGGWWGIHZCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O3/c1-18-14-21(28-22(15-18)32-26(4,5)17-35)30-24(36)19-6-7-20(31-25(2,3)16-34)29-23(19)33-12-10-27(8-9-27)11-13-33/h6-7,14-15,34-35H,8-13,16-17H2,1-5H3,(H,29,31)(H2,28,30,32,36).
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]-4-methyl-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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 496.66 g/mol, XLogP of 3.78, 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]-4-methyl-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 151510018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).