N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide

C14H15N3O2 — CID 54913010

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1cnccn1
InChIInChI=1S/C14H15N3O2/c1-10(11-5-3-4-6-13(11)18)17(2)14(19)12-9-15-7-8-16-12/h3-10,18H,1-2H3
InChIKeyBSAORRQUHKQRMI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 54913010) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
PubChem CID54913010
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1cnccn1
InChIInChI=1S/C14H15N3O2/c1-10(11-5-3-4-6-13(11)18)17(2)14(19)12-9-15-7-8-16-12/h3-10,18H,1-2H3
InChIKeyBSAORRQUHKQRMI-UHFFFAOYSA-N
XLogP2.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 62788080
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51201655
5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide
CID 81257273
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
CID 174432117

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide (CID 54913010) is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1cnccn1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is BSAORRQUHKQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(11-5-3-4-6-13(11)18)17(2)14(19)12-9-15-7-8-16-12/h3-10,18H,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 54913010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).