4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide

C19H17N5O — CID 164618696

IUPAC4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(-c3ccc(/C(N)=N/[H])cc3)cn2)cc1
InChIInChI=1S/C19H17N5O/c20-18(21)13-3-1-12(2-4-13)15-7-10-17(24-11-15)25-16-8-5-14(6-9-16)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyATYLQVGTTXSHRO-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.11
Rot. Bonds5

About 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide

4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide (PubChem CID 164618696) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide
PubChem CID164618696
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(-c3ccc(/C(N)=N/[H])cc3)cn2)cc1
InChIInChI=1S/C19H17N5O/c20-18(21)13-3-1-12(2-4-13)15-7-10-17(24-11-15)25-16-8-5-14(6-9-16)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyATYLQVGTTXSHRO-UHFFFAOYSA-N
XLogP3.11
TPSA121.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.11
H-Bond Donors ≤ 54
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

Bisacodyl
CID 2391
Cb-103
CID 2735289
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
3-Cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine
CID 68511788

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide?
The IUPAC name of 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide (CID 164618696) is 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide?
The canonical SMILES for 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(-c3ccc(/C(N)=N/[H])cc3)cn2)cc1.
What is the InChIKey of 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide?
The InChIKey is ATYLQVGTTXSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-18(21)13-3-1-12(2-4-13)15-7-10-17(24-11-15)25-16-8-5-14(6-9-16)19(22)23/h1-11H,(H3,20,21)(H3,22,23).
What are the key properties of 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide?
4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide has a molecular weight of 331.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-carbamimidoylphenoxy)-3-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 164618696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).