(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C17H24F3N5O — CID 126440537

IUPAC(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC[C@]3(CCNC3)C2)n1
InChIInChI=1S/C17H24F3N5O/c1-12-9-13(17(18,19)20)24-14(23-12)3-6-22-15(26)25-8-2-4-16(11-25)5-7-21-10-16/h9,21H,2-8,10-11H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyNUSXTEQADWLXGH-MRXNPFEDSA-N
MW371.41 g/mol
LogP2.13
Rot. Bonds3

About (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 126440537) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID126440537
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC[C@]3(CCNC3)C2)n1
InChIInChI=1S/C17H24F3N5O/c1-12-9-13(17(18,19)20)24-14(23-12)3-6-22-15(26)25-8-2-4-16(11-25)5-7-21-10-16/h9,21H,2-8,10-11H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyNUSXTEQADWLXGH-MRXNPFEDSA-N
XLogP2.13
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 126452220
(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 126422687
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95227903
N-ethyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 130525692
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 121498257
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
3-methoxy-1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 71796959
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
CID 95712319
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[(5R)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95216869
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 25384668
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 56752064

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 126440537) is (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC[C@]3(CCNC3)C2)n1.
What is the InChIKey of (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is NUSXTEQADWLXGH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-12-9-13(17(18,19)20)24-14(23-12)3-6-22-15(26)25-8-2-4-16(11-25)5-7-21-10-16/h9,21H,2-8,10-11H2,1H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
(5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 126440537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).