6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide

C14H16N4O2S — CID 106909719

IUPAC6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCOc1ccc(N)c(SCc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C14H16N4O2S/c1-20-10-5-6-11(15)13(7-10)21-8-9-3-2-4-12(17-9)14(19)18-16/h2-7H,8,15-16H2,1H3,(H,18,19)
InChIKeyKKWPKBAOUMAYPI-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.57
Rot. Bonds5

About 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909719) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909719
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCOc1ccc(N)c(SCc2cccc(C(=O)NN)n2)c1
InChIInChI=1S/C14H16N4O2S/c1-20-10-5-6-11(15)13(7-10)21-8-9-3-2-4-12(17-9)14(19)18-16/h2-7H,8,15-16H2,1H3,(H,18,19)
InChIKeyKKWPKBAOUMAYPI-UHFFFAOYSA-N
XLogP1.57
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162
methyl 6-[(2-amino-5-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylate
CID 106903905
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 79518909
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909676
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909719) is 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide is COc1ccc(N)c(SCc2cccc(C(=O)NN)n2)c1.
What is the InChIKey of 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is KKWPKBAOUMAYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-20-10-5-6-11(15)13(7-10)21-8-9-3-2-4-12(17-9)14(19)18-16/h2-7H,8,15-16H2,1H3,(H,18,19).
What are the key properties of 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide has a molecular weight of 304.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).