4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide

C20H19N5 — CID 11709683

IUPAC4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])cc3)nc2)cc1
InChIInChI=1S/C20H19N5/c21-19(22)16-4-1-13(2-5-16)11-14-3-10-18(25-12-14)15-6-8-17(9-7-15)20(23)24/h1-10,12H,11H2,(H3,21,22)(H3,23,24)
InChIKeyWOUODVOPWIVMDB-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.91
Rot. Bonds5

About 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide

4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide (PubChem CID 11709683) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide
PubChem CID11709683
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])cc3)nc2)cc1
InChIInChI=1S/C20H19N5/c21-19(22)16-4-1-13(2-5-16)11-14-3-10-18(25-12-14)15-6-8-17(9-7-15)20(23)24/h1-10,12H,11H2,(H3,21,22)(H3,23,24)
InChIKeyWOUODVOPWIVMDB-UHFFFAOYSA-N
XLogP2.91
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.91
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide (CID 11709683) is 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])cc3)nc2)cc1.
What is the InChIKey of 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide?
The InChIKey is WOUODVOPWIVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c21-19(22)16-4-1-13(2-5-16)11-14-3-10-18(25-12-14)15-6-8-17(9-7-15)20(23)24/h1-10,12H,11H2,(H3,21,22)(H3,23,24).
What are the key properties of 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide?
4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide has a molecular weight of 329.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide is sourced from PubChem (CID 11709683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).