N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H20F3N3O4 — CID 52524920

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@H](C)O1
InChIInChI=1S/C16H20F3N3O4/c1-9-7-22(8-10(2)26-9)13(23)5-6-20-14(24)11-3-4-12(16(17,18)19)21-15(11)25/h3-4,9-10H,5-8H2,1-2H3,(H,20,24)(H,21,25)/t9-,10+
InChIKeyGZBIZYLWASFFHP-AOOOYVTPSA-N
MW375.35 g/mol
LogP1.15
Rot. Bonds4

About N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 52524920) has the molecular formula C16H20F3N3O4 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID52524920
Molecular FormulaC16H20F3N3O4
Molecular Weight375.35 g/mol
Exact Mass375.14
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@H](C)O1
InChIInChI=1S/C16H20F3N3O4/c1-9-7-22(8-10(2)26-9)13(23)5-6-20-14(24)11-3-4-12(16(17,18)19)21-15(11)25/h3-4,9-10H,5-8H2,1-2H3,(H,20,24)(H,21,25)/t9-,10+
InChIKeyGZBIZYLWASFFHP-AOOOYVTPSA-N
XLogP1.15
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 52524920) is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@H](C)O1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GZBIZYLWASFFHP-AOOOYVTPSA-N. The full InChI is InChI=1S/C16H20F3N3O4/c1-9-7-22(8-10(2)26-9)13(23)5-6-20-14(24)11-3-4-12(16(17,18)19)21-15(11)25/h3-4,9-10H,5-8H2,1-2H3,(H,20,24)(H,21,25)/t9-,10+.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 52524920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).