N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide

C15H15FN4O2 — CID 95583445

IUPACN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1cnccn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O2/c16-12-3-1-10(2-4-12)7-11(14(17)21)8-20-15(22)13-9-18-5-6-19-13/h1-6,9,11H,7-8H2,(H2,17,21)(H,20,22)/t11-/m1/s1
InChIKeyIQVHFJVVGFHFPA-LLVKDONJSA-N
MW302.31 g/mol
LogP0.69
Rot. Bonds6

About N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 95583445) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID95583445
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1cnccn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O2/c16-12-3-1-10(2-4-12)7-11(14(17)21)8-20-15(22)13-9-18-5-6-19-13/h1-6,9,11H,7-8H2,(H2,17,21)(H,20,22)/t11-/m1/s1
InChIKeyIQVHFJVVGFHFPA-LLVKDONJSA-N
XLogP0.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 95137289
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide
CID 95789189
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 95312921
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide (CID 95583445) is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide is NC(=O)[C@@H](CNC(=O)c1cnccn1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is IQVHFJVVGFHFPA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-12-3-1-10(2-4-12)7-11(14(17)21)8-20-15(22)13-9-18-5-6-19-13/h1-6,9,11H,7-8H2,(H2,17,21)(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide?
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95583445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).