5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide

C15H18N4O — CID 136990608

IUPAC5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
SMILESCCN(c1ccc(C)cc1)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C15H18N4O/c1-3-19(12-6-4-11(2)5-7-12)13-8-9-14(17-10-13)15(16)18-20/h4-10,20H,3H2,1-2H3,(H2,16,18)
InChIKeyRHJYUWOIYNTWFQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.64
Rot. Bonds4

About 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide

5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990608) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990608
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
SMILESCCN(c1ccc(C)cc1)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C15H18N4O/c1-3-19(12-6-4-11(2)5-7-12)13-8-9-14(17-10-13)15(16)18-20/h4-10,20H,3H2,1-2H3,(H2,16,18)
InChIKeyRHJYUWOIYNTWFQ-UHFFFAOYSA-N
XLogP2.64
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide (CID 136990608) is 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide is CCN(c1ccc(C)cc1)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is RHJYUWOIYNTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-19(12-6-4-11(2)5-7-12)13-8-9-14(17-10-13)15(16)18-20/h4-10,20H,3H2,1-2H3,(H2,16,18).
What are the key properties of 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide?
5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).