5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide

C15H18N4 — CID 115489614

IUPAC5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)c2ccc(C)cc2)cn1
InChIInChI=1S/C15H18N4/c1-3-19(12-6-4-11(2)5-7-12)13-8-9-14(15(16)17)18-10-13/h4-10H,3H2,1-2H3,(H3,16,17)
InChIKeyCGMWFPSHYIFNKE-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.83
Rot. Bonds4

About 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide

5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide (PubChem CID 115489614) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
PubChem CID115489614
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)c2ccc(C)cc2)cn1
InChIInChI=1S/C15H18N4/c1-3-19(12-6-4-11(2)5-7-12)13-8-9-14(15(16)17)18-10-13/h4-10H,3H2,1-2H3,(H3,16,17)
InChIKeyCGMWFPSHYIFNKE-UHFFFAOYSA-N
XLogP2.83
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
CID 136990608
2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
CID 79519640
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
CID 115489592
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 115489551
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 115489730
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
5-(tert-butylamino)pyridine-2-carboximidamide
CID 71756788
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide?
The IUPAC name of 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide (CID 115489614) is 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide?
The canonical SMILES for 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(CC)c2ccc(C)cc2)cn1.
What is the InChIKey of 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide?
The InChIKey is CGMWFPSHYIFNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-19(12-6-4-11(2)5-7-12)13-8-9-14(15(16)17)18-10-13/h4-10H,3H2,1-2H3,(H3,16,17).
What are the key properties of 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide?
5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide has a molecular weight of 254.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide is sourced from PubChem (CID 115489614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).