N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide

C14H15N3O2 — CID 90534299

IUPACN-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cnccn1
InChIInChI=1S/C14H15N3O2/c18-12(8-11-4-2-1-3-5-11)9-17-14(19)13-10-15-6-7-16-13/h1-7,10,12,18H,8-9H2,(H,17,19)
InChIKeyJOCIWMYFUZSIMD-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.81
Rot. Bonds5

About N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide

N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 90534299) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
PubChem CID90534299
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cnccn1
InChIInChI=1S/C14H15N3O2/c18-12(8-11-4-2-1-3-5-11)9-17-14(19)13-10-15-6-7-16-13/h1-7,10,12,18H,8-9H2,(H,17,19)
InChIKeyJOCIWMYFUZSIMD-UHFFFAOYSA-N
XLogP0.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
CID 142596570
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 95967203
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
N-[(2S,5R)-5-hydroxy-7-methyl-3-oxo-1-phenyloctan-2-yl]pyrazine-2-carboxamide
CID 165039002
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
3-benzyl-1-pyrazin-2-ylpentane-1,4-dione
CID 147169443
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]pyrazine-2-carboxamide
CID 146576189

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide (CID 90534299) is N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide is O=C(NCC(O)Cc1ccccc1)c1cnccn1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is JOCIWMYFUZSIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12(8-11-4-2-1-3-5-11)9-17-14(19)13-10-15-6-7-16-13/h1-7,10,12,18H,8-9H2,(H,17,19).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide?
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 90534299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).