5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid

C17H14N4O3 — CID 137189876

IUPAC5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid
SMILESCc1ccc2[nH]c(C(=O)O)c(/C=N\NC(=O)c3ccncc3)c2c1
InChIInChI=1S/C17H14N4O3/c1-10-2-3-14-12(8-10)13(15(20-14)17(23)24)9-19-21-16(22)11-4-6-18-7-5-11/h2-9,20H,1H3,(H,21,22)(H,23,24)/b19-9-
InChIKeyANHISTQOHYJZMF-OCKHKDLRSA-N
MW322.32 g/mol
LogP2.33
Rot. Bonds4

About 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid

5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid (PubChem CID 137189876) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid
PubChem CID137189876
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid
SMILESCc1ccc2[nH]c(C(=O)O)c(/C=N\NC(=O)c3ccncc3)c2c1
InChIInChI=1S/C17H14N4O3/c1-10-2-3-14-12(8-10)13(15(20-14)17(23)24)9-19-21-16(22)11-4-6-18-7-5-11/h2-9,20H,1H3,(H,21,22)(H,23,24)/b19-9-
InChIKeyANHISTQOHYJZMF-OCKHKDLRSA-N
XLogP2.33
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate
CID 137174932
N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136774436
N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylic acid
CID 118108330
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126401641
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid (CID 137189876) is 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid is Cc1ccc2[nH]c(C(=O)O)c(/C=N\NC(=O)c3ccncc3)c2c1.
What is the InChIKey of 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid?
The InChIKey is ANHISTQOHYJZMF-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10-2-3-14-12(8-10)13(15(20-14)17(23)24)9-19-21-16(22)11-4-6-18-7-5-11/h2-9,20H,1H3,(H,21,22)(H,23,24)/b19-9-.
What are the key properties of 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid?
5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 137189876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).