6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide

C18H17N5O — CID 10022614

IUPAC6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])cn3)o2)cc1
InChIInChI=1S/C18H17N5O/c19-17(20)12-3-1-11(2-4-12)9-14-6-8-16(24-14)15-7-5-13(10-23-15)18(21)22/h1-8,10H,9H2,(H3,19,20)(H3,21,22)
InChIKeyOUBOSDPIFLHWJU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.50
Rot. Bonds5

About 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide

6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide (PubChem CID 10022614) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide
PubChem CID10022614
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])cn3)o2)cc1
InChIInChI=1S/C18H17N5O/c19-17(20)12-3-1-11(2-4-12)9-14-6-8-16(24-14)15-7-5-13(10-23-15)18(21)22/h1-8,10H,9H2,(H3,19,20)(H3,21,22)
InChIKeyOUBOSDPIFLHWJU-UHFFFAOYSA-N
XLogP2.50
TPSA125.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.50
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-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide (CID 10022614) is 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])cn3)o2)cc1.
What is the InChIKey of 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide?
The InChIKey is OUBOSDPIFLHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17(20)12-3-1-11(2-4-12)9-14-6-8-16(24-14)15-7-5-13(10-23-15)18(21)22/h1-8,10H,9H2,(H3,19,20)(H3,21,22).
What are the key properties of 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide?
6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide has a molecular weight of 319.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 10022614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).