6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide

C19H17N5 — CID 24752469

IUPAC6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cn3)cc2)cc1
InChIInChI=1S/C19H17N5/c20-18(21)15-7-3-13(4-8-15)12-1-5-14(6-2-12)17-10-9-16(11-24-17)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyNCRJRWGTYNXQST-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.98
Rot. Bonds4

About 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide

6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide (PubChem CID 24752469) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide
PubChem CID24752469
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cn3)cc2)cc1
InChIInChI=1S/C19H17N5/c20-18(21)15-7-3-13(4-8-15)12-1-5-14(6-2-12)17-10-9-16(11-24-17)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyNCRJRWGTYNXQST-UHFFFAOYSA-N
XLogP2.98
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.98
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 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide?
The IUPAC name of 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide (CID 24752469) is 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cn3)cc2)cc1.
What is the InChIKey of 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide?
The InChIKey is NCRJRWGTYNXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-18(21)15-7-3-13(4-8-15)12-1-5-14(6-2-12)17-10-9-16(11-24-17)19(22)23/h1-11H,(H3,20,21)(H3,22,23).
What are the key properties of 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide?
6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide has a molecular weight of 315.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide is sourced from PubChem (CID 24752469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).