4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide

C26H31FN4O3 — CID 123620455

IUPAC4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide
SMILESCCC(O)CCCc1cnc(N)c(-c2ccc(C(=O)NC(CO)c3cccc(C)c3)c(F)c2)n1
InChIInChI=1S/C26H31FN4O3/c1-3-20(33)9-5-8-19-14-29-25(28)24(30-19)18-10-11-21(22(27)13-18)26(34)31-23(15-32)17-7-4-6-16(2)12-17/h4,6-7,10-14,20,23,32-33H,3,5,8-9,15H2,1-2H3,(H2,28,29)(H,31,34)
InChIKeyOLKPENRBGKZFHT-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.73
Rot. Bonds10

About 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide

4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide (PubChem CID 123620455) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide
PubChem CID123620455
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide
SMILESCCC(O)CCCc1cnc(N)c(-c2ccc(C(=O)NC(CO)c3cccc(C)c3)c(F)c2)n1
InChIInChI=1S/C26H31FN4O3/c1-3-20(33)9-5-8-19-14-29-25(28)24(30-19)18-10-11-21(22(27)13-18)26(34)31-23(15-32)17-7-4-6-16(2)12-17/h4,6-7,10-14,20,23,32-33H,3,5,8-9,15H2,1-2H3,(H2,28,29)(H,31,34)
InChIKeyOLKPENRBGKZFHT-UHFFFAOYSA-N
XLogP3.73
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide
CID 118046092
4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045817
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)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
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-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045864
4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045890
4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 118045706
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
methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate
CID 118045787
4-[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045806

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide (CID 123620455) is 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide is CCC(O)CCCc1cnc(N)c(-c2ccc(C(=O)NC(CO)c3cccc(C)c3)c(F)c2)n1.
What is the InChIKey of 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?
The InChIKey is OLKPENRBGKZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-3-20(33)9-5-8-19-14-29-25(28)24(30-19)18-10-11-21(22(27)13-18)26(34)31-23(15-32)17-7-4-6-16(2)12-17/h4,6-7,10-14,20,23,32-33H,3,5,8-9,15H2,1-2H3,(H2,28,29)(H,31,34).
What are the key properties of 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?
4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.73, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(4-hydroxyhexyl)pyrazin-2-yl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 123620455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).