methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate

C18H18N4O3 — CID 133314410

IUPACmethyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate
SMILESCOC(=O)C(CNc1ccc2nccnc2n1)Cc1ccc(O)cc1
InChIInChI=1S/C18H18N4O3/c1-25-18(24)13(10-12-2-4-14(23)5-3-12)11-21-16-7-6-15-17(22-16)20-9-8-19-15/h2-9,13,23H,10-11H2,1H3,(H,20,21,22)
InChIKeyZZGWVNLOTMEQQI-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate

methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate (PubChem CID 133314410) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate
PubChem CID133314410
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Namemethyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate
SMILESCOC(=O)C(CNc1ccc2nccnc2n1)Cc1ccc(O)cc1
InChIInChI=1S/C18H18N4O3/c1-25-18(24)13(10-12-2-4-14(23)5-3-12)11-21-16-7-6-15-17(22-16)20-9-8-19-15/h2-9,13,23H,10-11H2,1H3,(H,20,21,22)
InChIKeyZZGWVNLOTMEQQI-UHFFFAOYSA-N
XLogP2.17
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[(6-bromoquinazolin-4-yl)amino]methyl]-3-(4-hydroxyphenyl)propanoate
CID 86951849
methyl 2-[[(3-cyano-2-pyridinyl)amino]methyl]-3-(4-hydroxyphenyl)propanoate
CID 133314409
methyl 2-[(4-hydroxyphenyl)methyl]butanoate
CID 22988421
N-(3-methyl-2-propan-2-ylbutyl)pyrido[2,3-b]pyrazin-6-amine
CID 102913962
N-(2-ethoxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115658228
methyl 2-[(4-hydroxyphenyl)methyl]heptanoate
CID 175479386
N-tert-butyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)acetamide
CID 78988508
methyl (2R)-2-[(4-hydroxyphenyl)methyl]heptanoate;hydrochloride
CID 175479387
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3-(4-hydroxyphenyl)propanoate
CID 133312850
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2R)-2-[(4-hydroxyphenyl)methyl]-3-(oxiran-2-yl)propanoate
CID 139911220

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate?
The IUPAC name of methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate (CID 133314410) is methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate.
What is the SMILES notation for methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate?
The canonical SMILES for methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate is COC(=O)C(CNc1ccc2nccnc2n1)Cc1ccc(O)cc1.
What is the InChIKey of methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate?
The InChIKey is ZZGWVNLOTMEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-18(24)13(10-12-2-4-14(23)5-3-12)11-21-16-7-6-15-17(22-16)20-9-8-19-15/h2-9,13,23H,10-11H2,1H3,(H,20,21,22).
What are the key properties of methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate?
methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate has a molecular weight of 338.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxyphenyl)methyl]-3-(pyrido[2,3-b]pyrazin-6-ylamino)propanoate is sourced from PubChem (CID 133314410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).