(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide

C23H26N4O3 — CID 10575219

IUPAC(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCc1nc(CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15-21(14-16-5-3-2-4-6-16)27-23(30)20(26-15)11-12-25-22(29)19(24)13-17-7-9-18(28)10-8-17/h2-10,19,28H,11-14,24H2,1H3,(H,25,29)(H,27,30)/t19-/m0/s1
InChIKeyIZRGKHHSRCIALM-IBGZPJMESA-N
MW406.49 g/mol
LogP1.60
Rot. Bonds8

About (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 10575219) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID10575219
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCc1nc(CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15-21(14-16-5-3-2-4-6-16)27-23(30)20(26-15)11-12-25-22(29)19(24)13-17-7-9-18(28)10-8-17/h2-10,19,28H,11-14,24H2,1H3,(H,25,29)(H,27,30)/t19-/m0/s1
InChIKeyIZRGKHHSRCIALM-IBGZPJMESA-N
XLogP1.60
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)propyl]-3-(4-hydroxyphenyl)propanamide
CID 10742481
(2S)-2-amino-N-[4-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)butyl]-3-(4-hydroxyphenyl)propanamide
CID 10838123
2-amino-N-[3-[5-[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]propyl]-3-(4-hydroxyphenyl)propanamide;dihydrochloride
CID 90664526
tert-butyl N-[(2S)-3-(4-hydroxyphenyl)-1-[3-[5-methyl-2-oxo-6-(2-phenylethyl)-1H-pyrazin-3-yl]propylamino]-1-oxopropan-2-yl]carbamate
CID 10721069
2-amino-N-[4-[6-[3-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 10416429
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63240236
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416404
tert-butyl N-[(2S)-3-(4-hydroxyphenyl)-1-[4-[5-[4-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]butylamino]-1-oxopropan-2-yl]carbamate
CID 11803355
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide (CID 10575219) is (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide is Cc1nc(CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is IZRGKHHSRCIALM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-21(14-16-5-3-2-4-6-16)27-23(30)20(26-15)11-12-25-22(29)19(24)13-17-7-9-18(28)10-8-17/h2-10,19,28H,11-14,24H2,1H3,(H,25,29)(H,27,30)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 406.49 g/mol, XLogP of 1.60, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 10575219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).