2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid

C17H14N4O5 — CID 10360756

IUPAC2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid
SMILES[H]/N=C(\N)c1cnc2oc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2c1
InChIInChI=1S/C17H14N4O5/c18-15(19)10-5-9-6-13(26-17(9)20-7-10)16(24)21-11-1-3-12(4-2-11)25-8-14(22)23/h1-7H,8H2,(H3,18,19)(H,21,24)(H,22,23)
InChIKeyILWBNXKXGHHFHQ-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid

2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 10360756) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID10360756
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid
SMILES[H]/N=C(\N)c1cnc2oc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2c1
InChIInChI=1S/C17H14N4O5/c18-15(19)10-5-9-6-13(26-17(9)20-7-10)16(24)21-11-1-3-12(4-2-11)25-8-14(22)23/h1-7H,8H2,(H3,18,19)(H,21,24)(H,22,23)
InChIKeyILWBNXKXGHHFHQ-UHFFFAOYSA-N
XLogP1.83
TPSA151.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.83
H-Bond Donors ≤ 54
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

2-[[5-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid
CID 10641830
2-[4-[(5-carbamimidoyl-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 10090365
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
methyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoate
CID 10642582
2-[4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]phenoxy]acetic acid
CID 10405908
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propyl]phenoxy]acetic acid
CID 54024250
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
CID 114030968
5-[[3-(4-carbamimidoylphenoxy)-2-oxopropyl]amino]-2-(carboxymethoxy)benzoic acid
CID 143092789
(2R)-2-[(4-carbamimidoylbenzoyl)amino]-3-[4-(carboxymethoxy)phenyl]propanoic acid;hydrate
CID 70050016
tert-butyl 2-[4-[(6-carbamimidoyl-2-benzofuran-1-carbonyl)amino]phenoxy]acetate
CID 67721890

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid (CID 10360756) is 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid is [H]/N=C(\N)c1cnc2oc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2c1.
What is the InChIKey of 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is ILWBNXKXGHHFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c18-15(19)10-5-9-6-13(26-17(9)20-7-10)16(24)21-11-1-3-12(4-2-11)25-8-14(22)23/h1-7H,8H2,(H3,18,19)(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid?
2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 354.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 10360756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).