9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C25H26N4O2 — CID 131672435

IUPAC9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccc2)CCOC12CN(Cc1ccccn1)CC2c1cccnc1
InChIInChI=1S/C25H26N4O2/c30-24-25(31-14-13-29(24)16-20-7-2-1-3-8-20)19-28(17-22-10-4-5-12-27-22)18-23(25)21-9-6-11-26-15-21/h1-12,15,23H,13-14,16-19H2
InChIKeyWVMSNBNZUDXNJS-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.87
Rot. Bonds5

About 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 131672435) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID131672435
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccc2)CCOC12CN(Cc1ccccn1)CC2c1cccnc1
InChIInChI=1S/C25H26N4O2/c30-24-25(31-14-13-29(24)16-20-7-2-1-3-8-20)19-28(17-22-10-4-5-12-27-22)18-23(25)21-9-6-11-26-15-21/h1-12,15,23H,13-14,16-19H2
InChIKeyWVMSNBNZUDXNJS-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-3-yl-2-(pyridin-3-ylmethyl)-9-(pyridin-4-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 155834498
4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669889
2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131672466
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669885
2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669901
9-[(4-fluorophenyl)methyl]-2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155863406
9-(3-chloro-2-methylbenzoyl)-4-phenyl-2-(pyridin-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131697434
(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
CID 92574940
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233044
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
(3aR,7aR)-2-(pyridin-2-ylmethyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one;tris(2,2,2-trifluoroacetic acid)
CID 155837766

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 131672435) is 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is O=C1N(Cc2ccccc2)CCOC12CN(Cc1ccccn1)CC2c1cccnc1.
What is the InChIKey of 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is WVMSNBNZUDXNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24-25(31-14-13-29(24)16-20-7-2-1-3-8-20)19-28(17-22-10-4-5-12-27-22)18-23(25)21-9-6-11-26-15-21/h1-12,15,23H,13-14,16-19H2.
What are the key properties of 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 414.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131672435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).