2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid

C14H11N5O4 — CID 23499531

IUPAC2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid
SMILES[N-]=[N+]=Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)nc2)cc1
InChIInChI=1S/C14H11N5O4/c15-19-18-10-3-1-9(2-4-10)14(22)17-11-5-6-12(16-7-11)23-8-13(20)21/h1-7H,8H2,(H,17,22)(H,20,21)
InChIKeyUXNVMJKGNYSGTM-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.74
Rot. Bonds6

About 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid

2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid (PubChem CID 23499531) has the molecular formula C14H11N5O4 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid
PubChem CID23499531
Molecular FormulaC14H11N5O4
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid
SMILES[N-]=[N+]=Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)nc2)cc1
InChIInChI=1S/C14H11N5O4/c15-19-18-10-3-1-9(2-4-10)14(22)17-11-5-6-12(16-7-11)23-8-13(20)21/h1-7H,8H2,(H,17,22)(H,20,21)
InChIKeyUXNVMJKGNYSGTM-UHFFFAOYSA-N
XLogP2.74
TPSA137.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[(4-azidobenzoyl)amino]benzamide
CID 169326653
methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
CID 15980958
2-[2,6-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 120549355
2-[[5-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid
CID 10641830
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338975
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
CID 55960600
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-(4-benzamidophenoxy)acetic acid
CID 3830392
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid (CID 23499531) is 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid is [N-]=[N+]=Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)nc2)cc1.
What is the InChIKey of 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid?
The InChIKey is UXNVMJKGNYSGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4/c15-19-18-10-3-1-9(2-4-10)14(22)17-11-5-6-12(16-7-11)23-8-13(20)21/h1-7H,8H2,(H,17,22)(H,20,21).
What are the key properties of 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid?
2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid has a molecular weight of 313.27 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 23499531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).