(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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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).