N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide

C18H19FN4O2 — CID 67482899

IUPACN-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide
SMILESCC(=O)N1C(c2ccc(NC(=O)c3cnccn3)cc2F)CC[C@@H]1C
InChIInChI=1S/C18H19FN4O2/c1-11-3-6-17(23(11)12(2)24)14-5-4-13(9-15(14)19)22-18(25)16-10-20-7-8-21-16/h4-5,7-11,17H,3,6H2,1-2H3,(H,22,25)/t11-,17?/m0/s1
InChIKeyLQGBWCUPOKLABG-PIJUOJQZSA-N
MW342.37 g/mol
LogP2.94
Rot. Bonds3

About N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide

N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide (PubChem CID 67482899) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide
PubChem CID67482899
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide
SMILESCC(=O)N1C(c2ccc(NC(=O)c3cnccn3)cc2F)CC[C@@H]1C
InChIInChI=1S/C18H19FN4O2/c1-11-3-6-17(23(11)12(2)24)14-5-4-13(9-15(14)19)22-18(25)16-10-20-7-8-21-16/h4-5,7-11,17H,3,6H2,1-2H3,(H,22,25)/t11-,17?/m0/s1
InChIKeyLQGBWCUPOKLABG-PIJUOJQZSA-N
XLogP2.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
CID 110742560
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 65433519
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2-carboxamide
CID 42140131
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 102410009

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide (CID 67482899) is N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide is CC(=O)N1C(c2ccc(NC(=O)c3cnccn3)cc2F)CC[C@@H]1C.
What is the InChIKey of N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
The InChIKey is LQGBWCUPOKLABG-PIJUOJQZSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-3-6-17(23(11)12(2)24)14-5-4-13(9-15(14)19)22-18(25)16-10-20-7-8-21-16/h4-5,7-11,17H,3,6H2,1-2H3,(H,22,25)/t11-,17?/m0/s1.
What are the key properties of N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide?
N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67482899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).