acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide

C19H19N5O3 — CID 11849765

IUPACacetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cn2)cc1
InChIInChI=1S/C17H15N5O.C2H4O2/c18-16(19)11-3-1-10(2-4-11)13-6-5-12(9-22-13)14-7-8-15(23-14)17(20)21;1-2(3)4/h1-9H,(H3,18,19)(H3,20,21);1H3,(H,3,4)
InChIKeySNFJRDVQYBVCAL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.67
Rot. Bonds4

About acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide

acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide (PubChem CID 11849765) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide.

Molecular Properties

Compound Nameacetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide
PubChem CID11849765
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Nameacetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cn2)cc1
InChIInChI=1S/C17H15N5O.C2H4O2/c18-16(19)11-3-1-10(2-4-11)13-6-5-12(9-22-13)14-7-8-15(23-14)17(20)21;1-2(3)4/h1-9H,(H3,18,19)(H3,20,21);1H3,(H,3,4)
InChIKeySNFJRDVQYBVCAL-UHFFFAOYSA-N
XLogP2.67
TPSA163.07 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide?
The IUPAC name of acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide (CID 11849765) is acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide.
What is the SMILES notation for acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide?
The canonical SMILES for acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide is CC(=O)O.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cn2)cc1.
What is the InChIKey of acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide?
The InChIKey is SNFJRDVQYBVCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.C2H4O2/c18-16(19)11-3-1-10(2-4-11)13-6-5-12(9-22-13)14-7-8-15(23-14)17(20)21;1-2(3)4/h1-9H,(H3,18,19)(H3,20,21);1H3,(H,3,4).
What are the key properties of acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide?
acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide has a molecular weight of 365.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]furan-2-carboximidamide is sourced from PubChem (CID 11849765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).