2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide

C27H36N6O3 — CID 146694475

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3C[C@@H]4C[C@H]3CO4)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C27H36N6O3/c1-26(2,17-34)31-22-7-6-20(24(29-22)32-12-10-27(8-9-27)11-13-32)25(35)30-21-4-3-5-23(28-21)33-15-19-14-18(33)16-36-19/h3-7,18-19,34H,8-17H2,1-2H3,(H,29,31)(H,28,30,35)/t18-,19-/m0/s1
InChIKeyQMVDTOWHCBGWAC-OALUTQOASA-N
MW492.62 g/mol
LogP3.27
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 146694475) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID146694475
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3C[C@@H]4C[C@H]3CO4)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C27H36N6O3/c1-26(2,17-34)31-22-7-6-20(24(29-22)32-12-10-27(8-9-27)11-13-32)25(35)30-21-4-3-5-23(28-21)33-15-19-14-18(33)16-36-19/h3-7,18-19,34H,8-17H2,1-2H3,(H,29,31)(H,28,30,35)/t18-,19-/m0/s1
InChIKeyQMVDTOWHCBGWAC-OALUTQOASA-N
XLogP3.27
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 146694475) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3C[C@@H]4C[C@H]3CO4)n2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is QMVDTOWHCBGWAC-OALUTQOASA-N. The full InChI is InChI=1S/C27H36N6O3/c1-26(2,17-34)31-22-7-6-20(24(29-22)32-12-10-27(8-9-27)11-13-32)25(35)30-21-4-3-5-23(28-21)33-15-19-14-18(33)16-36-19/h3-7,18-19,34H,8-17H2,1-2H3,(H,29,31)(H,28,30,35)/t18-,19-/m0/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 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-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 146694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).