N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide

C18H21FN4O2 — CID 75201349

IUPACN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)c1cncc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)n1
InChIInChI=1S/C18H21FN4O2/c1-11(2)15-8-21-9-16(23-15)18(24)22-12-3-4-13(14(19)7-12)17-10-20-5-6-25-17/h3-4,7-9,11,17,20H,5-6,10H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyZSQWVPMENHIYCW-QGZVFWFLSA-N
MW344.39 g/mol
LogP2.65
Rot. Bonds4

About N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide

N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide (PubChem CID 75201349) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide
PubChem CID75201349
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)c1cncc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)n1
InChIInChI=1S/C18H21FN4O2/c1-11(2)15-8-21-9-16(23-15)18(24)22-12-3-4-13(14(19)7-12)17-10-20-5-6-25-17/h3-4,7-9,11,17,20H,5-6,10H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyZSQWVPMENHIYCW-QGZVFWFLSA-N
XLogP2.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide (CID 75201349) is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide is CC(C)c1cncc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)n1.
What is the InChIKey of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is ZSQWVPMENHIYCW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(2)15-8-21-9-16(23-15)18(24)22-12-3-4-13(14(19)7-12)17-10-20-5-6-25-17/h3-4,7-9,11,17,20H,5-6,10H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide?
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 75201349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).