acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide

C18H19N5O4 — CID 53322818

IUPACacetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])o3)o2)nc1
InChIInChI=1S/C16H15N5O2.C2H4O2/c17-15(18)9-1-2-10(21-8-9)7-11-3-4-12(22-11)13-5-6-14(23-13)16(19)20;1-2(3)4/h1-6,8H,7H2,(H3,17,18)(H3,19,20);1H3,(H,3,4)
InChIKeyMNCPHCHISVVYAN-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.18
Rot. Bonds5

About acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide

acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide (PubChem CID 53322818) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Nameacetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
PubChem CID53322818
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Nameacetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])o3)o2)nc1
InChIInChI=1S/C16H15N5O2.C2H4O2/c17-15(18)9-1-2-10(21-8-9)7-11-3-4-12(22-11)13-5-6-14(23-13)16(19)20;1-2(3)4/h1-6,8H,7H2,(H3,17,18)(H3,19,20);1H3,(H,3,4)
InChIKeyMNCPHCHISVVYAN-UHFFFAOYSA-N
XLogP2.18
TPSA176.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[5-(5-Carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide;hydrochloride
CID 53325980
6-[5-[5-(5-Carbamimidoyl-2-pyridinyl)furan-2-yl]furan-2-yl]pyridine-3-carboximidamide
CID 23156961
6-(2,2'-Bifuran-5-YL)nicotinamidine
CID 76322922
4-{[4-(5-Methoxy-pyridin-2-yl)-phenylamino]-methyl}-5-methyl-furan-2-carboxylic acid methyl ester trifluoroacetic acid salt
CID 68682297
1-[[5-(4-Carbamimidoylphenoxy)carbonylfuran-2-yl]methyl]pyrrole-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 90106380
(2,2,2-Trifluoroacetyl) 1-[[5-(4-carbamimidoylphenoxy)carbonylfuran-2-yl]methyl]pyrrole-2-carboxylate
CID 90106382
5-[5-(5-Carbamimidoylfuran-2-yl)furan-2-yl]pyridine-2-carboximidamide
CID 51346882
6-[[5-(5-Carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide
CID 53322819
[(3-Fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate
CID 60616102
Methyl 5-[5-(trifluoromethyl)pyridine-2-carbonyl]furan-2-carboxylate
CID 106946555
Methyl 5-[hydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]furan-2-carboxylate
CID 106947108
[6-(2,4-Dimethylpentan-3-yl)-3-pyridinyl]methyl 5-(piperidin-1-ylmethyl)furan-2-carboxylate;2,2,2-trifluoroacetic acid
CID 166326840

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
The IUPAC name of acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide (CID 53322818) is acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide.
What is the SMILES notation for acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
The canonical SMILES for acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide is CC(=O)O.[H]/N=C(\N)c1ccc(Cc2ccc(-c3ccc(/C(N)=N/[H])o3)o2)nc1.
What is the InChIKey of acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
The InChIKey is MNCPHCHISVVYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2.C2H4O2/c17-15(18)9-1-2-10(21-8-9)7-11-3-4-12(22-11)13-5-6-14(23-13)16(19)20;1-2(3)4/h1-6,8H,7H2,(H3,17,18)(H3,19,20);1H3,(H,3,4).
What are the key properties of acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide?
acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide has a molecular weight of 369.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-[[5-(5-carbamimidoylfuran-2-yl)furan-2-yl]methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 53322818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).