3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide

C17H20FN5O2 — CID 94184034

IUPAC3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)c3nccnc3N)cc2F)C[C@H](C)O1
InChIInChI=1S/C17H20FN5O2/c1-10-8-23(9-11(2)25-10)14-4-3-12(7-13(14)18)22-17(24)15-16(19)21-6-5-20-15/h3-7,10-11H,8-9H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11-/m0/s1
InChIKeyZKYZETXYZNBYQJ-QWRGUYRKSA-N
MW345.38 g/mol
LogP2.06
Rot. Bonds3

About 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide

3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide (PubChem CID 94184034) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide
PubChem CID94184034
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)c3nccnc3N)cc2F)C[C@H](C)O1
InChIInChI=1S/C17H20FN5O2/c1-10-8-23(9-11(2)25-10)14-4-3-12(7-13(14)18)22-17(24)15-16(19)21-6-5-20-15/h3-7,10-11H,8-9H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11-/m0/s1
InChIKeyZKYZETXYZNBYQJ-QWRGUYRKSA-N
XLogP2.06
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide
CID 97186262
2-chloro-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyridine-3-carboxamide
CID 97186261
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide
CID 102556139
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94647091
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-methoxy-3-nitrobenzamide
CID 71940669
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
CID 94189690
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(2-methoxyethyl)urea
CID 94189672
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-5-nitrofuran-2-carboxamide
CID 94084965
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 52538036
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
CID 95383368
N'-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)oxamide
CID 55750500

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide (CID 94184034) is 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide is C[C@H]1CN(c2ccc(NC(=O)c3nccnc3N)cc2F)C[C@H](C)O1.
What is the InChIKey of 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
The InChIKey is ZKYZETXYZNBYQJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-10-8-23(9-11(2)25-10)14-4-3-12(7-13(14)18)22-17(24)15-16(19)21-6-5-20-15/h3-7,10-11H,8-9H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11-/m0/s1.
What are the key properties of 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 94184034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).