2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C27H38N6O5 — CID 162426817

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(CO)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C27H38N6O5/c1-19-15-33(13-14-38-19)23-4-2-3-21(28-23)30-25(37)20-5-6-22(31-27(16-34,17-35)18-36)29-24(20)32-11-9-26(7-8-26)10-12-32/h2-6,19,34-36H,7-18H2,1H3,(H,29,31)(H,28,30,37)/t19-/m1/s1
InChIKeyCTQVWYPIPCAWQW-LJQANCHMSA-N
MW526.64 g/mol
LogP1.46
Rot. Bonds9

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 162426817) has the molecular formula C27H38N6O5 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID162426817
Molecular FormulaC27H38N6O5
Molecular Weight526.64 g/mol
Exact Mass526.29
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(CO)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C27H38N6O5/c1-19-15-33(13-14-38-19)23-4-2-3-21(28-23)30-25(37)20-5-6-22(31-27(16-34,17-35)18-36)29-24(20)32-11-9-26(7-8-26)10-12-32/h2-6,19,34-36H,7-18H2,1H3,(H,29,31)(H,28,30,37)/t19-/m1/s1
InChIKeyCTQVWYPIPCAWQW-LJQANCHMSA-N
XLogP1.46
TPSA143.31 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-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-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 162426817) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC(CO)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is CTQVWYPIPCAWQW-LJQANCHMSA-N. The full InChI is InChI=1S/C27H38N6O5/c1-19-15-33(13-14-38-19)23-4-2-3-21(28-23)30-25(37)20-5-6-22(31-27(16-34,17-35)18-36)29-24(20)32-11-9-26(7-8-26)10-12-32/h2-6,19,34-36H,7-18H2,1H3,(H,29,31)(H,28,30,37)/t19-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 1.46, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 162426817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).