N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide

C15H12N4O3 — CID 137172272

IUPACN-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
SMILESCOc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccncc3)c2c1
InChIInChI=1S/C15H12N4O3/c1-22-10-2-3-12-11(8-10)13(15(21)17-12)18-19-14(20)9-4-6-16-7-5-9/h2-8,17,21H,1H3/b19-18+
InChIKeySAPUHOICUAYDAX-VHEBQXMUSA-N
MW296.29 g/mol
LogP3.20
Rot. Bonds3

About N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide

N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide (PubChem CID 137172272) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
PubChem CID137172272
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
SMILESCOc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccncc3)c2c1
InChIInChI=1S/C15H12N4O3/c1-22-10-2-3-12-11(8-10)13(15(21)17-12)18-19-14(20)9-4-6-16-7-5-9/h2-8,17,21H,1H3/b19-18+
InChIKeySAPUHOICUAYDAX-VHEBQXMUSA-N
XLogP3.20
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.20
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

4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]benzamide
CID 155523855
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-3H-benzimidazole-5-carboxamide
CID 172994435
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[(3-methoxyphenyl)carbamoylamino]benzamide
CID 155534994
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide
CID 135532875
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide
CID 172638818
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155557998

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide (CID 137172272) is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide is COc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccncc3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide?
The InChIKey is SAPUHOICUAYDAX-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-10-2-3-12-11(8-10)13(15(21)17-12)18-19-14(20)9-4-6-16-7-5-9/h2-8,17,21H,1H3/b19-18+.
What are the key properties of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide?
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide is sourced from PubChem (CID 137172272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).