2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C28H40N6O4 — CID 151002505

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CCO)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H40N6O4/c1-27(2,12-16-35)32-23-7-6-21(25(30-23)33-13-10-28(8-9-28)11-14-33)26(37)31-22-4-3-5-24(29-22)34-15-17-38-20(18-34)19-36/h3-7,20,35-36H,8-19H2,1-2H3,(H,30,32)(H,29,31,37)/t20-/m0/s1
InChIKeyLUKDMXLQAUIWEF-FQEVSTJZSA-N
MW524.67 g/mol
LogP2.88
Rot. Bonds9

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 151002505) has the molecular formula C28H40N6O4 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID151002505
Molecular FormulaC28H40N6O4
Molecular Weight524.67 g/mol
Exact Mass524.31
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CCO)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H40N6O4/c1-27(2,12-16-35)32-23-7-6-21(25(30-23)33-13-10-28(8-9-28)11-14-33)26(37)31-22-4-3-5-24(29-22)34-15-17-38-20(18-34)19-36/h3-7,20,35-36H,8-19H2,1-2H3,(H,30,32)(H,29,31,37)/t20-/m0/s1
InChIKeyLUKDMXLQAUIWEF-FQEVSTJZSA-N
XLogP2.88
TPSA123.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 151002505) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is CC(C)(CCO)Nc1ccc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)n2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is LUKDMXLQAUIWEF-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H40N6O4/c1-27(2,12-16-35)32-23-7-6-21(25(30-23)33-13-10-28(8-9-28)11-14-33)26(37)31-22-4-3-5-24(29-22)34-15-17-38-20(18-34)19-36/h3-7,20,35-36H,8-19H2,1-2H3,(H,30,32)(H,29,31,37)/t20-/m0/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 2.88, 9 rotatable bonds, 4 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-[(4-hydroxy-2-methylbutan-2-yl)amino]-N-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 151002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).