6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide

C18H17N5O — CID 44567853

IUPAC6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cc3C)o2)nc1
InChIInChI=1S/C18H17N5O/c1-10-8-11(17(19)20)2-4-13(10)15-6-7-16(24-15)14-5-3-12(9-23-14)18(21)22/h2-9H,1H3,(H3,19,20)(H3,21,22)
InChIKeySAGRSGGDGLBAMF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.89
Rot. Bonds4

About 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide

6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide (PubChem CID 44567853) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide
PubChem CID44567853
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cc3C)o2)nc1
InChIInChI=1S/C18H17N5O/c1-10-8-11(17(19)20)2-4-13(10)15-6-7-16(24-15)14-5-3-12(9-23-14)18(21)22/h2-9H,1H3,(H3,19,20)(H3,21,22)
InChIKeySAGRSGGDGLBAMF-UHFFFAOYSA-N
XLogP2.89
TPSA125.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide (CID 44567853) is 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cc3C)o2)nc1.
What is the InChIKey of 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide?
The InChIKey is SAGRSGGDGLBAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-8-11(17(19)20)2-4-13(10)15-6-7-16(24-15)14-5-3-12(9-23-14)18(21)22/h2-9H,1H3,(H3,19,20)(H3,21,22).
What are the key properties of 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide?
6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide has a molecular weight of 319.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 44567853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).