N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide

C12H19N5O2 — CID 55049875

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CN(CC/C(N)=N/O)C(=O)c1cnccn1
InChIInChI=1S/C12H19N5O2/c1-9(2)8-17(6-3-11(13)16-19)12(18)10-7-14-4-5-15-10/h4-5,7,9,19H,3,6,8H2,1-2H3,(H2,13,16)
InChIKeyKZNCASYDDQKLFR-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.71
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 55049875) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID55049875
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CN(CC/C(N)=N/O)C(=O)c1cnccn1
InChIInChI=1S/C12H19N5O2/c1-9(2)8-17(6-3-11(13)16-19)12(18)10-7-14-4-5-15-10/h4-5,7,9,19H,3,6,8H2,1-2H3,(H2,13,16)
InChIKeyKZNCASYDDQKLFR-UHFFFAOYSA-N
XLogP0.71
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.71
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-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
CID 76937052
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 77060547
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 77059352
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 104671971
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
N-(3-amino-3-hydroxyiminopropyl)-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 76917312
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-N-(2-methylpropyl)furan-3-carboxamide
CID 106689295
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 55049875) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide is CC(C)CN(CC/C(N)=N/O)C(=O)c1cnccn1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is KZNCASYDDQKLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(2)8-17(6-3-11(13)16-19)12(18)10-7-14-4-5-15-10/h4-5,7,9,19H,3,6,8H2,1-2H3,(H2,13,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 55049875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).