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

C27H38N6O4 — CID 150008212

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1
InChIInChI=1S/C27H38N6O4/c1-26(2,18-34)31-21-5-4-20(24(29-21)33-10-8-27(6-7-27)9-11-33)25(35)30-22-16-19(36-3)17-23(28-22)32-12-14-37-15-13-32/h4-5,16-17,34H,6-15,18H2,1-3H3,(H,29,31)(H,28,30,35)
InChIKeyDCSVOUFCNPSNEW-UHFFFAOYSA-N
MW510.64 g/mol
LogP3.14
Rot. Bonds8

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

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 150008212) has the molecular formula C27H38N6O4 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-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-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID150008212
Molecular FormulaC27H38N6O4
Molecular Weight510.64 g/mol
Exact Mass510.30
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1
InChIInChI=1S/C27H38N6O4/c1-26(2,18-34)31-21-5-4-20(24(29-21)33-10-8-27(6-7-27)9-11-33)25(35)30-22-16-19(36-3)17-23(28-22)32-12-14-37-15-13-32/h4-5,16-17,34H,6-15,18H2,1-3H3,(H,29,31)(H,28,30,35)
InChIKeyDCSVOUFCNPSNEW-UHFFFAOYSA-N
XLogP3.14
TPSA112.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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-(4-methoxy-6-morpholin-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-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide (CID 150008212) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-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-(4-methoxy-6-morpholin-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-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is DCSVOUFCNPSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O4/c1-26(2,18-34)31-21-5-4-20(24(29-21)33-10-8-27(6-7-27)9-11-33)25(35)30-22-16-19(36-3)17-23(28-22)32-12-14-37-15-13-32/h4-5,16-17,34H,6-15,18H2,1-3H3,(H,29,31)(H,28,30,35).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 9 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-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 150008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).