(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid

C18H17N5O3 — CID 70854683

IUPAC(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
SMILESCC(=O)Nc1ccc2ncc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc2n1
InChIInChI=1S/C18H17N5O3/c1-10(24)21-16-7-6-14-17(23-16)22-15(9-20-14)12-4-2-11(3-5-12)8-13(19)18(25)26/h2-7,9,13H,8,19H2,1H3,(H,25,26)(H,21,22,23,24)/t13-/m0/s1
InChIKeyJGZWVZFZJKIYAK-ZDUSSCGKSA-N
MW351.37 g/mol
LogP1.60
Rot. Bonds5

About (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid

(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid (PubChem CID 70854683) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
PubChem CID70854683
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
SMILESCC(=O)Nc1ccc2ncc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc2n1
InChIInChI=1S/C18H17N5O3/c1-10(24)21-16-7-6-14-17(23-16)22-15(9-20-14)12-4-2-11(3-5-12)8-13(19)18(25)26/h2-7,9,13H,8,19H2,1H3,(H,25,26)(H,21,22,23,24)/t13-/m0/s1
InChIKeyJGZWVZFZJKIYAK-ZDUSSCGKSA-N
XLogP1.60
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide
CID 58881960
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
CID 16727156
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
CID 91559493
(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
CID 172529534
[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
CID 16727165
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 69315806
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
CID 90896454

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid?
The IUPAC name of (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid (CID 70854683) is (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid.
What is the SMILES notation for (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid?
The canonical SMILES for (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid is CC(=O)Nc1ccc2ncc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc2n1.
What is the InChIKey of (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid?
The InChIKey is JGZWVZFZJKIYAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10(24)21-16-7-6-14-17(23-16)22-15(9-20-14)12-4-2-11(3-5-12)8-13(19)18(25)26/h2-7,9,13H,8,19H2,1H3,(H,25,26)(H,21,22,23,24)/t13-/m0/s1.
What are the key properties of (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid?
(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid has a molecular weight of 351.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid is sourced from PubChem (CID 70854683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).