3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride

C14H16ClN3O2 — CID 82253528

IUPAC3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C14H15N3O2.ClH/c1-18-13-8-11(14(15)16)2-3-12(13)19-9-10-4-6-17-7-5-10;/h2-8H,9H2,1H3,(H3,15,16);1H
InChIKeyNEJPKGRZVBTQBN-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.38
Rot. Bonds5

About 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride

3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride (PubChem CID 82253528) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
PubChem CID82253528
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C14H15N3O2.ClH/c1-18-13-8-11(14(15)16)2-3-12(13)19-9-10-4-6-17-7-5-10;/h2-8H,9H2,1H3,(H3,15,16);1H
InChIKeyNEJPKGRZVBTQBN-UHFFFAOYSA-N
XLogP2.38
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.38
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-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride (CID 82253528) is 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCc2ccncc2)c(OC)c1.
What is the InChIKey of 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride?
The InChIKey is NEJPKGRZVBTQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2.ClH/c1-18-13-8-11(14(15)16)2-3-12(13)19-9-10-4-6-17-7-5-10;/h2-8H,9H2,1H3,(H3,15,16);1H.
What are the key properties of 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride?
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).