(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C20H31N5O2 — CID 97483665

IUPAC(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1cc(N2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)ncn1
InChIInChI=1S/C20H31N5O2/c1-27-18-12-17(21-15-22-18)24-10-5-8-20(13-24)9-11-25(14-20)19(26)23-16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyBDDPCDIMVFLJSK-FQEVSTJZSA-N
MW373.50 g/mol
LogP2.82
Rot. Bonds3

About (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 97483665) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID97483665
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1cc(N2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)ncn1
InChIInChI=1S/C20H31N5O2/c1-27-18-12-17(21-15-22-18)24-10-5-8-20(13-24)9-11-25(14-20)19(26)23-16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyBDDPCDIMVFLJSK-FQEVSTJZSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97484299
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131656588
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97483573
(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 97483634
(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483578

Frequently Asked Questions

What is the IUPAC name of (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 97483665) is (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1cc(N2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)ncn1.
What is the InChIKey of (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is BDDPCDIMVFLJSK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-27-18-12-17(21-15-22-18)24-10-5-8-20(13-24)9-11-25(14-20)19(26)23-16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97483665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).