N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide

C17H15N5O3 — CID 135441894

IUPACN-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)c2ccc(C=NO)nc2)c2ccccc21
InChIInChI=1S/C17H15N5O3/c1-2-22-14-6-4-3-5-13(14)15(17(22)24)20-21-16(23)11-7-8-12(10-19-25)18-9-11/h3-10,24-25H,2H2,1H3/b19-10?,21-20+
InChIKeyKGTIPGXACQMQCH-CMFNAASQSA-N
MW337.34 g/mol
LogP3.49
Rot. Bonds4

About N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide

N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide (PubChem CID 135441894) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
PubChem CID135441894
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)c2ccc(C=NO)nc2)c2ccccc21
InChIInChI=1S/C17H15N5O3/c1-2-22-14-6-4-3-5-13(14)15(17(22)24)20-21-16(23)11-7-8-12(10-19-25)18-9-11/h3-10,24-25H,2H2,1H3/b19-10?,21-20+
InChIKeyKGTIPGXACQMQCH-CMFNAASQSA-N
XLogP3.49
TPSA112.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135547717
ethyl 2-[2-hydroxy-3-[[6-[(Z)-hydroxyiminomethyl]pyridine-3-carbonyl]diazenyl]indol-1-yl]acetate
CID 136676044
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 135749649
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 135811401
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide (CID 135441894) is N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide is CCn1c(O)c(/N=N/C(=O)c2ccc(C=NO)nc2)c2ccccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
The InChIKey is KGTIPGXACQMQCH-CMFNAASQSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-2-22-14-6-4-3-5-13(14)15(17(22)24)20-21-16(23)11-7-8-12(10-19-25)18-9-11/h3-10,24-25H,2H2,1H3/b19-10?,21-20+.
What are the key properties of N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135441894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).