N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide

C20H26N4O — CID 143075875

IUPACN'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide
SMILESC=C/N=C(\N)c1ccc(Oc2ccc(CNCCC(C)C)cc2)nc1
InChIInChI=1S/C20H26N4O/c1-4-23-20(21)17-7-10-19(24-14-17)25-18-8-5-16(6-9-18)13-22-12-11-15(2)3/h4-10,14-15,22H,1,11-13H2,2-3H3,(H2,21,23)
InChIKeyZKMDYALQSBMWSD-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.86
Rot. Bonds9

About N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide

N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide (PubChem CID 143075875) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide
PubChem CID143075875
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide
SMILESC=C/N=C(\N)c1ccc(Oc2ccc(CNCCC(C)C)cc2)nc1
InChIInChI=1S/C20H26N4O/c1-4-23-20(21)17-7-10-19(24-14-17)25-18-8-5-16(6-9-18)13-22-12-11-15(2)3/h4-10,14-15,22H,1,11-13H2,2-3H3,(H2,21,23)
InChIKeyZKMDYALQSBMWSD-UHFFFAOYSA-N
XLogP3.86
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 59729960
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 59830886
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide?
The IUPAC name of N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide (CID 143075875) is N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide.
What is the SMILES notation for N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide?
The canonical SMILES for N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide is C=C/N=C(\N)c1ccc(Oc2ccc(CNCCC(C)C)cc2)nc1.
What is the InChIKey of N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide?
The InChIKey is ZKMDYALQSBMWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-23-20(21)17-7-10-19(24-14-17)25-18-8-5-16(6-9-18)13-22-12-11-15(2)3/h4-10,14-15,22H,1,11-13H2,2-3H3,(H2,21,23).
What are the key properties of N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide?
N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide has a molecular weight of 338.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 143075875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).