N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide

C12H17N5O — CID 143329472

IUPACN-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide
SMILESC/N=C(C)/C(=N\C)C(=N/c1cccc(C)n1)/NO
InChIInChI=1S/C12H17N5O/c1-8-6-5-7-10(15-8)16-12(17-18)11(14-4)9(2)13-3/h5-7,18H,1-4H3,(H,15,16,17)/b13-9+,14-11+
InChIKeyDLSFVIJCEKWYPA-IJFRVEDASA-N
MW247.30 g/mol
LogP1.56
Rot. Bonds3

About N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide

N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide (PubChem CID 143329472) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide.

Molecular Properties

Compound NameN-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide
PubChem CID143329472
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide
SMILESC/N=C(C)/C(=N\C)C(=N/c1cccc(C)n1)/NO
InChIInChI=1S/C12H17N5O/c1-8-6-5-7-10(15-8)16-12(17-18)11(14-4)9(2)13-3/h5-7,18H,1-4H3,(H,15,16,17)/b13-9+,14-11+
InChIKeyDLSFVIJCEKWYPA-IJFRVEDASA-N
XLogP1.56
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide?
The IUPAC name of N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide (CID 143329472) is N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide.
What is the SMILES notation for N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide?
The canonical SMILES for N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide is C/N=C(C)/C(=N\C)C(=N/c1cccc(C)n1)/NO.
What is the InChIKey of N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide?
The InChIKey is DLSFVIJCEKWYPA-IJFRVEDASA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-6-5-7-10(15-8)16-12(17-18)11(14-4)9(2)13-3/h5-7,18H,1-4H3,(H,15,16,17)/b13-9+,14-11+.
What are the key properties of N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide?
N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide has a molecular weight of 247.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-bis(methylimino)-N'-(6-methyl-2-pyridinyl)butanimidamide is sourced from PubChem (CID 143329472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).