3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide

C14H16N4O2 — CID 110886937

IUPAC3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H16N4O2/c15-13-12(16-6-7-17-13)14(20)18(8-9-19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2,(H2,15,17)
InChIKeyMIESVMKTBMYXGF-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.69
Rot. Bonds5

About 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide

3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide (PubChem CID 110886937) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
PubChem CID110886937
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H16N4O2/c15-13-12(16-6-7-17-13)14(20)18(8-9-19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2,(H2,15,17)
InChIKeyMIESVMKTBMYXGF-UHFFFAOYSA-N
XLogP0.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
CID 15377951
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5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
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1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
3-amino-N,N-diethylpyrazine-2-carboxamide
CID 13141221
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide (CID 110886937) is 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The InChIKey is MIESVMKTBMYXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-13-12(16-6-7-17-13)14(20)18(8-9-19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2,(H2,15,17).
What are the key properties of 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 110886937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).