2-(pyridin-4-ylmethoxy)benzenecarboximidamide

C13H13N3O — CID 24702540

IUPAC2-(pyridin-4-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1ccncc1
InChIInChI=1S/C13H13N3O/c14-13(15)11-3-1-2-4-12(11)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H3,14,15)
InChIKeyGNXACELHKOMRQS-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(pyridin-4-ylmethoxy)benzenecarboximidamide

2-(pyridin-4-ylmethoxy)benzenecarboximidamide (PubChem CID 24702540) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethoxy)benzenecarboximidamide
PubChem CID24702540
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(pyridin-4-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1ccncc1
InChIInChI=1S/C13H13N3O/c14-13(15)11-3-1-2-4-12(11)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H3,14,15)
InChIKeyGNXACELHKOMRQS-UHFFFAOYSA-N
XLogP1.94
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.94
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

3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
CID 79706034
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-(pyridin-4-ylmethoxy)benzenecarboximidamide (CID 24702540) is 2-(pyridin-4-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(pyridin-4-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-(pyridin-4-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethoxy)benzenecarboximidamide?
The InChIKey is GNXACELHKOMRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13(15)11-3-1-2-4-12(11)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H3,14,15).
What are the key properties of 2-(pyridin-4-ylmethoxy)benzenecarboximidamide?
2-(pyridin-4-ylmethoxy)benzenecarboximidamide has a molecular weight of 227.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24702540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).