3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C13H15F6N3O3 — CID 58442302

IUPAC3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H15F6N3O3/c1-3-25-10-6(12(14,15)16)4-7(20)8(22-10)9(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyQOLIZSVOBMCSPJ-NSHDSACASA-N
MW375.27 g/mol
LogP2.12
Rot. Bonds5

About 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442302) has the molecular formula C13H15F6N3O3 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442302
Molecular FormulaC13H15F6N3O3
Molecular Weight375.27 g/mol
Exact Mass375.10
IUPAC Name3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H15F6N3O3/c1-3-25-10-6(12(14,15)16)4-7(20)8(22-10)9(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyQOLIZSVOBMCSPJ-NSHDSACASA-N
XLogP2.12
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442302) is 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QOLIZSVOBMCSPJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F6N3O3/c1-3-25-10-6(12(14,15)16)4-7(20)8(22-10)9(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).