N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate

C16H14N4O4 — CID 135794083

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
SMILESCC(=O)[O-].O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc[nH+]cc1
InChIInChI=1S/C14H10N4O2.C2H4O2/c19-13(9-5-7-15-8-6-9)18-17-12-10-3-1-2-4-11(10)16-14(12)20;1-2(3)4/h1-8,16,20H;1H3,(H,3,4)/b18-17+;
InChIKeyYMQWJVIYYWLRRB-ZAGWXBKKSA-N
MW326.31 g/mol
LogP1.37
Rot. Bonds2

About N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate

N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate (PubChem CID 135794083) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
PubChem CID135794083
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
SMILESCC(=O)[O-].O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc[nH+]cc1
InChIInChI=1S/C14H10N4O2.C2H4O2/c19-13(9-5-7-15-8-6-9)18-17-12-10-3-1-2-4-11(10)16-14(12)20;1-2(3)4/h1-8,16,20H;1H3,(H,3,4)/b18-17+;
InChIKeyYMQWJVIYYWLRRB-ZAGWXBKKSA-N
XLogP1.37
TPSA132.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 3249407
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
CID 5153691
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
CID 171983173
4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4182686
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135951622
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
CID 135976516
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate (CID 135794083) is N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate is CC(=O)[O-].O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc[nH+]cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate?
The InChIKey is YMQWJVIYYWLRRB-ZAGWXBKKSA-N. The full InChI is InChI=1S/C14H10N4O2.C2H4O2/c19-13(9-5-7-15-8-6-9)18-17-12-10-3-1-2-4-11(10)16-14(12)20;1-2(3)4/h1-8,16,20H;1H3,(H,3,4)/b18-17+;.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate?
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate has a molecular weight of 326.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate is sourced from PubChem (CID 135794083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).