2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide

C25H33N5O4S — CID 150772483

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(CS(C)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C25H33N5O4S/c1-18-16-30(14-15-34-18)22-5-3-4-21(27-22)28-24(31)20-7-6-19(17-35(2,32)33)26-23(20)29-12-10-25(8-9-25)11-13-29/h3-7,18H,8-17H2,1-2H3,(H,27,28,31)/t18-/m1/s1
InChIKeyKADOQPNOGBUUSE-GOSISDBHSA-N
MW499.64 g/mol
LogP2.88
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide (PubChem CID 150772483) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide
PubChem CID150772483
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(CS(C)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C25H33N5O4S/c1-18-16-30(14-15-34-18)22-5-3-4-21(27-22)28-24(31)20-7-6-19(17-35(2,32)33)26-23(20)29-12-10-25(8-9-25)11-13-29/h3-7,18H,8-17H2,1-2H3,(H,27,28,31)/t18-/m1/s1
InChIKeyKADOQPNOGBUUSE-GOSISDBHSA-N
XLogP2.88
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 52.88
H-Bond Donors ≤ 51
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)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide (CID 150772483) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(CS(C)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide?
The InChIKey is KADOQPNOGBUUSE-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-18-16-30(14-15-34-18)22-5-3-4-21(27-22)28-24(31)20-7-6-19(17-35(2,32)33)26-23(20)29-12-10-25(8-9-25)11-13-29/h3-7,18H,8-17H2,1-2H3,(H,27,28,31)/t18-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 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)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 150772483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).