N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide

C20H24N4O2 — CID 97476036

IUPACN-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccncc3)C2)C1)c1cccnc1
InChIInChI=1S/C20H24N4O2/c25-19(17-2-1-7-22-13-17)23-18-5-11-26-20(12-18)6-10-24(15-20)14-16-3-8-21-9-4-16/h1-4,7-9,13,18H,5-6,10-12,14-15H2,(H,23,25)/t18-,20-/m1/s1
InChIKeyPYJGDCLZXXPRPL-UYAOXDASSA-N
MW352.44 g/mol
LogP2.03
Rot. Bonds4

About N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide

N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide (PubChem CID 97476036) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
PubChem CID97476036
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccncc3)C2)C1)c1cccnc1
InChIInChI=1S/C20H24N4O2/c25-19(17-2-1-7-22-13-17)23-18-5-11-26-20(12-18)6-10-24(15-20)14-16-3-8-21-9-4-16/h1-4,7-9,13,18H,5-6,10-12,14-15H2,(H,23,25)/t18-,20-/m1/s1
InChIKeyPYJGDCLZXXPRPL-UYAOXDASSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155854554
1-methyl-N-[(5S,9S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124820308
1,1-dimethyl-3-[(5R,9S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97476683
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97477674
N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97474442
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353
N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477682
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124815429

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide (CID 97476036) is N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccncc3)C2)C1)c1cccnc1.
What is the InChIKey of N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?
The InChIKey is PYJGDCLZXXPRPL-UYAOXDASSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(17-2-1-7-22-13-17)23-18-5-11-26-20(12-18)6-10-24(15-20)14-16-3-8-21-9-4-16/h1-4,7-9,13,18H,5-6,10-12,14-15H2,(H,23,25)/t18-,20-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide?
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97476036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).