4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide

C25H31N5O3 — CID 58653217

IUPAC4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N3CCC[C@@]4(CCN(C5CCC(O)CC5)C4=O)C3)nc2)cc1
InChIInChI=1S/C25H31N5O3/c26-22(32)18-4-2-17(3-5-18)19-14-27-24(28-15-19)29-12-1-10-25(16-29)11-13-30(23(25)33)20-6-8-21(31)9-7-20/h2-5,14-15,20-21,31H,1,6-13,16H2,(H2,26,32)/t20?,21?,25-/m1/s1
InChIKeyIJERFHGEPVOJNM-UXIGSVSMSA-N
MW449.56 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide

4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide (PubChem CID 58653217) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
PubChem CID58653217
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N3CCC[C@@]4(CCN(C5CCC(O)CC5)C4=O)C3)nc2)cc1
InChIInChI=1S/C25H31N5O3/c26-22(32)18-4-2-17(3-5-18)19-14-27-24(28-15-19)29-12-1-10-25(16-29)11-13-30(23(25)33)20-6-8-21(31)9-7-20/h2-5,14-15,20-21,31H,1,6-13,16H2,(H2,26,32)/t20?,21?,25-/m1/s1
InChIKeyIJERFHGEPVOJNM-UXIGSVSMSA-N
XLogP2.36
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
CID 58653513
2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 66722612
(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653425
methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate
CID 76677792
(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 67504327
(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653270
(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653472
(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653359
[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
CID 67503941
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722584
(5R)-9-(5-ethylpyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653471

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide (CID 58653217) is 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(N3CCC[C@@]4(CCN(C5CCC(O)CC5)C4=O)C3)nc2)cc1.
What is the InChIKey of 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
The InChIKey is IJERFHGEPVOJNM-UXIGSVSMSA-N. The full InChI is InChI=1S/C25H31N5O3/c26-22(32)18-4-2-17(3-5-18)19-14-27-24(28-15-19)29-12-1-10-25(16-29)11-13-30(23(25)33)20-6-8-21(31)9-7-20/h2-5,14-15,20-21,31H,1,6-13,16H2,(H2,26,32)/t20?,21?,25-/m1/s1.
What are the key properties of 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide has a molecular weight of 449.56 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 58653217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).