N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide

C9H13N5O2 — CID 76953270

IUPACN-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
SMILESNC(CCCNC(=O)c1cnccn1)=NO
InChIInChI=1S/C9H13N5O2/c10-8(14-16)2-1-3-13-9(15)7-6-11-4-5-12-7/h4-6,16H,1-3H2,(H2,10,14)(H,13,15)
InChIKeyDFQNHEAAQOSXOV-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.27
Rot. Bonds5

About N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide

N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide (PubChem CID 76953270) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
PubChem CID76953270
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
SMILESNC(CCCNC(=O)c1cnccn1)=NO
InChIInChI=1S/C9H13N5O2/c10-8(14-16)2-1-3-13-9(15)7-6-11-4-5-12-7/h4-6,16H,1-3H2,(H2,10,14)(H,13,15)
InChIKeyDFQNHEAAQOSXOV-UHFFFAOYSA-N
XLogP-0.27
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(3-azidopropyl)pyrazine-2-carboxamide
CID 62199377
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
CID 77036604
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
CID 76937052
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide (CID 76953270) is N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide is NC(CCCNC(=O)c1cnccn1)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide?
The InChIKey is DFQNHEAAQOSXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8(14-16)2-1-3-13-9(15)7-6-11-4-5-12-7/h4-6,16H,1-3H2,(H2,10,14)(H,13,15).
What are the key properties of N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide?
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 76953270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).