N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide

C9H13N5O2 — CID 76937052

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
SMILESCN(CCC(N)=NO)C(=O)c1cnccn1
InChIInChI=1S/C9H13N5O2/c1-14(5-2-8(10)13-16)9(15)7-6-11-3-4-12-7/h3-4,6,16H,2,5H2,1H3,(H2,10,13)
InChIKeyPCJCUMODSRNPLR-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.31
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide (PubChem CID 76937052) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
PubChem CID76937052
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
SMILESCN(CCC(N)=NO)C(=O)c1cnccn1
InChIInChI=1S/C9H13N5O2/c1-14(5-2-8(10)13-16)9(15)7-6-11-3-4-12-7/h3-4,6,16H,2,5H2,1H3,(H2,10,13)
InChIKeyPCJCUMODSRNPLR-UHFFFAOYSA-N
XLogP-0.31
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 76937040
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 77059339
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121328
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
N-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 110752355
N-(3-amino-3-hydroxyiminopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76930119
N'-hydroxy-3-pyrazin-2-ylpropanimidamide
CID 164644111

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide (CID 76937052) is N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide is CN(CCC(N)=NO)C(=O)c1cnccn1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is PCJCUMODSRNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-14(5-2-8(10)13-16)9(15)7-6-11-3-4-12-7/h3-4,6,16H,2,5H2,1H3,(H2,10,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 76937052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).