2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile

C21H28N4O2 — CID 58653579

IUPAC2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
SMILESCOC1CCC(N2CC[C@@]3(CCCN(c4ncccc4C#N)C3)C2=O)CC1
InChIInChI=1S/C21H28N4O2/c1-27-18-7-5-17(6-8-18)25-13-10-21(20(25)26)9-3-12-24(15-21)19-16(14-22)4-2-11-23-19/h2,4,11,17-18H,3,5-10,12-13,15H2,1H3/t17?,18?,21-/m1/s1
InChIKeyPXAAKTRBUCQIJZ-WIXQSORDSA-N
MW368.48 g/mol
LogP2.73
Rot. Bonds3

About 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile

2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile (PubChem CID 58653579) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
PubChem CID58653579
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
SMILESCOC1CCC(N2CC[C@@]3(CCCN(c4ncccc4C#N)C3)C2=O)CC1
InChIInChI=1S/C21H28N4O2/c1-27-18-7-5-17(6-8-18)25-13-10-21(20(25)26)9-3-12-24(15-21)19-16(14-22)4-2-11-23-19/h2,4,11,17-18H,3,5-10,12-13,15H2,1H3/t17?,18?,21-/m1/s1
InChIKeyPXAAKTRBUCQIJZ-WIXQSORDSA-N
XLogP2.73
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile (CID 58653579) is 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile is COC1CCC(N2CC[C@@]3(CCCN(c4ncccc4C#N)C3)C2=O)CC1.
What is the InChIKey of 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
The InChIKey is PXAAKTRBUCQIJZ-WIXQSORDSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-18-7-5-17(6-8-18)25-13-10-21(20(25)26)9-3-12-24(15-21)19-16(14-22)4-2-11-23-19/h2,4,11,17-18H,3,5-10,12-13,15H2,1H3/t17?,18?,21-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile has a molecular weight of 368.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 58653579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).