(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H24F3N5O — CID 95730179

IUPAC(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C17H24F3N5O/c1-11-8-13(17(18,19)20)25-14(24-11)2-5-22-15(26)12-9-16(10-23-12)3-6-21-7-4-16/h8,12,21,23H,2-7,9-10H2,1H3,(H,22,26)/t12-/m0/s1
InChIKeyUZBHUAQNPAKWQZ-LBPRGKRZSA-N
MW371.41 g/mol
LogP1.19
Rot. Bonds4

About (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95730179) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95730179
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C17H24F3N5O/c1-11-8-13(17(18,19)20)25-14(24-11)2-5-22-15(26)12-9-16(10-23-12)3-6-21-7-4-16/h8,12,21,23H,2-7,9-10H2,1H3,(H,22,26)/t12-/m0/s1
InChIKeyUZBHUAQNPAKWQZ-LBPRGKRZSA-N
XLogP1.19
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95730179) is (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)n1.
What is the InChIKey of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is UZBHUAQNPAKWQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-11-8-13(17(18,19)20)25-14(24-11)2-5-22-15(26)12-9-16(10-23-12)3-6-21-7-4-16/h8,12,21,23H,2-7,9-10H2,1H3,(H,22,26)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95730179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).