1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C30H35F6N3O4 — CID 134218506

IUPAC1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C30H35F6N3O4/c1-37(2)26(42)23-17-39(24(40)14-22(23)20-8-4-3-5-9-20)19-28(43)12-13-38(18-27(28)10-6-7-11-27)25(41)21(15-29(31,32)33)16-30(34,35)36/h3-5,8-9,14,17,21,43H,6-7,10-13,15-16,18-19H2,1-2H3/t28-/m1/s1
InChIKeySNCGXAOBCQGOIF-MUUNZHRXSA-N
MW615.62 g/mol
LogP5.26
Rot. Bonds7

About 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134218506) has the molecular formula C30H35F6N3O4 and a molecular weight of 615.62 g/mol. Its IUPAC name is 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID134218506
Molecular FormulaC30H35F6N3O4
Molecular Weight615.62 g/mol
Exact Mass615.25
IUPAC Name1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C30H35F6N3O4/c1-37(2)26(42)23-17-39(24(40)14-22(23)20-8-4-3-5-9-20)19-28(43)12-13-38(18-27(28)10-6-7-11-27)25(41)21(15-29(31,32)33)16-30(34,35)36/h3-5,8-9,14,17,21,43H,6-7,10-13,15-16,18-19H2,1-2H3/t28-/m1/s1
InChIKeySNCGXAOBCQGOIF-MUUNZHRXSA-N
XLogP5.26
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.62
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 134218506) is 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is SNCGXAOBCQGOIF-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H35F6N3O4/c1-37(2)26(42)23-17-39(24(40)14-22(23)20-8-4-3-5-9-20)19-28(43)12-13-38(18-27(28)10-6-7-11-27)25(41)21(15-29(31,32)33)16-30(34,35)36/h3-5,8-9,14,17,21,43H,6-7,10-13,15-16,18-19H2,1-2H3/t28-/m1/s1.
What are the key properties of 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 615.62 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-10-hydroxy-7-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134218506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).