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

C16H20N4O — CID 81300119

IUPAC4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCc1ccccn1
InChIInChI=1S/C16H20N4O/c1-20(10-8-12-5-3-4-9-19-12)15-11-13(21-2)6-7-14(15)16(17)18/h3-7,9,11H,8,10H2,1-2H3,(H3,17,18)
InChIKeyKRPLEKCMMZUBET-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds6

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

4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide (PubChem CID 81300119) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
PubChem CID81300119
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCc1ccccn1
InChIInChI=1S/C16H20N4O/c1-20(10-8-12-5-3-4-9-19-12)15-11-13(21-2)6-7-14(15)16(17)18/h3-7,9,11H,8,10H2,1-2H3,(H3,17,18)
InChIKeyKRPLEKCMMZUBET-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

4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide (CID 81300119) is 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(C)CCc1ccccn1.
What is the InChIKey of 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
The InChIKey is KRPLEKCMMZUBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(10-8-12-5-3-4-9-19-12)15-11-13(21-2)6-7-14(15)16(17)18/h3-7,9,11H,8,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide?
4-methoxy-2-[methyl(2-pyridin-2-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-2-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 81300119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).