N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide

C14H15N5O2 — CID 76938619

IUPACN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(CC(N)=NO)cc2)cn1
InChIInChI=1S/C14H15N5O2/c1-9-7-17-12(8-16-9)14(20)18-11-4-2-10(3-5-11)6-13(15)19-21/h2-5,7-8,21H,6H2,1H3,(H2,15,19)(H,18,20)
InChIKeyWSHVBMHXKXRVBI-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.33
Rot. Bonds4

About N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide

N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 76938619) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID76938619
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(CC(N)=NO)cc2)cn1
InChIInChI=1S/C14H15N5O2/c1-9-7-17-12(8-16-9)14(20)18-11-4-2-10(3-5-11)6-13(15)19-21/h2-5,7-8,21H,6H2,1H3,(H2,15,19)(H,18,20)
InChIKeyWSHVBMHXKXRVBI-UHFFFAOYSA-N
XLogP1.33
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]thiadiazole-5-carboxamide
CID 77060431
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
CID 11269455
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182775
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 76938578
propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
CID 55057847
N-[4-(diethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8503925
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 167929276
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide (CID 76938619) is N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(CC(N)=NO)cc2)cn1.
What is the InChIKey of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is WSHVBMHXKXRVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-7-17-12(8-16-9)14(20)18-11-4-2-10(3-5-11)6-13(15)19-21/h2-5,7-8,21H,6H2,1H3,(H2,15,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide?
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 76938619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).