methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate

C15H17N3O3 — CID 167848525

IUPACmethyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NCC(CO)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)13-14(17-8-7-16-13)18-9-12(10-19)11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H,17,18)
InChIKeyWLEQDBLQUZZXAV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.45
Rot. Bonds6

About methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate

methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate (PubChem CID 167848525) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate
PubChem CID167848525
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NCC(CO)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)13-14(17-8-7-16-13)18-9-12(10-19)11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H,17,18)
InChIKeyWLEQDBLQUZZXAV-UHFFFAOYSA-N
XLogP1.45
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 54121972
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
methyl benzoate;2-methylpropan-1-ol
CID 69407319
3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
CID 115408711
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
CID 120704917
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
methyl 3-bromo-4-(4-hydroxy-3-phenylbutyl)benzoate
CID 160521165
methyl 3-[(2-bromophenyl)methylsulfonylamino]pyrazine-2-carboxylate
CID 66639652
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
methyl benzoate;propane-1,2,3-triol
CID 141209730

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate (CID 167848525) is methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate is COC(=O)c1nccnc1NCC(CO)c1ccccc1.
What is the InChIKey of methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate?
The InChIKey is WLEQDBLQUZZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-15(20)13-14(17-8-7-16-13)18-9-12(10-19)11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H,17,18).
What are the key properties of methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate?
methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-2-phenylpropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 167848525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).