4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C19H17FN4O2 — CID 141444513

IUPAC4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1nccnc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C19H17FN4O2/c20-15-10-13(17-18(21)23-9-8-22-17)6-7-14(15)19(26)24-16(11-25)12-4-2-1-3-5-12/h1-10,16,25H,11H2,(H2,21,23)(H,24,26)/t16-/m1/s1
InChIKeyPPPGGWVEFPCFMP-MRXNPFEDSA-N
MW352.37 g/mol
LogP2.33
Rot. Bonds5

About 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 141444513) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID141444513
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1nccnc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C19H17FN4O2/c20-15-10-13(17-18(21)23-9-8-22-17)6-7-14(15)19(26)24-16(11-25)12-4-2-1-3-5-12/h1-10,16,25H,11H2,(H2,21,23)(H,24,26)/t16-/m1/s1
InChIKeyPPPGGWVEFPCFMP-MRXNPFEDSA-N
XLogP2.33
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045871
4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879
4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045535
4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 118045672
4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 123783299
4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045399
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046570
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluorobenzoic acid;4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;ethane
CID 158933489
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 141444513) is 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1nccnc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is PPPGGWVEFPCFMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-10-13(17-18(21)23-9-8-22-17)6-7-14(15)19(26)24-16(11-25)12-4-2-1-3-5-12/h1-10,16,25H,11H2,(H2,21,23)(H,24,26)/t16-/m1/s1.
What are the key properties of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 141444513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).