4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

C16H20N4O — CID 81299445

IUPAC4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCc1ccncc1
InChIInChI=1S/C16H20N4O/c1-20(10-7-12-5-8-19-9-6-12)15-11-13(21-2)3-4-14(15)16(17)18/h3-6,8-9,11H,7,10H2,1-2H3,(H3,17,18)
InChIKeyAFOWDLJWAWXHII-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds6

About 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (PubChem CID 81299445) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
PubChem CID81299445
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCc1ccncc1
InChIInChI=1S/C16H20N4O/c1-20(10-7-12-5-8-19-9-6-12)15-11-13(21-2)3-4-14(15)16(17)18/h3-6,8-9,11H,7,10H2,1-2H3,(H3,17,18)
InChIKeyAFOWDLJWAWXHII-UHFFFAOYSA-N
XLogP2.05
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
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'}

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
3-bromo-4-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 82799848
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboximidamide
CID 54943583
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (CID 81299445) is 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(C)CCc1ccncc1.
What is the InChIKey of 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The InChIKey is AFOWDLJWAWXHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(10-7-12-5-8-19-9-6-12)15-11-13(21-2)3-4-14(15)16(17)18/h3-6,8-9,11H,7,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 81299445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).