(6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium

C24H29N5O3S — CID 175070572

IUPAC(6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NN[S+]([O-])c2cccc(N)n2)c(C)c1
InChIInChI=1S/C24H29N5O3S/c1-14-12-15(2)21(16(3)13-14)32-23-17(10-11-18(26-23)24(4,5)6)22(30)28-29-33(31)20-9-7-8-19(25)27-20/h7-13,29H,1-6H3,(H2,25,27)(H,28,30)
InChIKeyDBSQQWPIGPVNFQ-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.03
Rot. Bonds6

About (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium

(6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium (PubChem CID 175070572) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium
PubChem CID175070572
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name(6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NN[S+]([O-])c2cccc(N)n2)c(C)c1
InChIInChI=1S/C24H29N5O3S/c1-14-12-15(2)21(16(3)13-14)32-23-17(10-11-18(26-23)24(4,5)6)22(30)28-29-33(31)20-9-7-8-19(25)27-20/h7-13,29H,1-6H3,(H2,25,27)(H,28,30)
InChIKeyDBSQQWPIGPVNFQ-UHFFFAOYSA-N
XLogP4.03
TPSA125.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252343
6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251189
N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide
CID 121251557
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,6-dimethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252901
6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonylimino]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 172827750
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 160692651
N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251198
N-[(6-amino-2-pyridinyl)sulfonyl]-6-cyclopentyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121253671
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-chlorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251275
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252540
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250568
6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile
CID 121251915

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium?
The IUPAC name of (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium (CID 175070572) is (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium.
What is the SMILES notation for (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium?
The canonical SMILES for (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium is Cc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NN[S+]([O-])c2cccc(N)n2)c(C)c1.
What is the InChIKey of (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium?
The InChIKey is DBSQQWPIGPVNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-14-12-15(2)21(16(3)13-14)32-23-17(10-11-18(26-23)24(4,5)6)22(30)28-29-33(31)20-9-7-8-19(25)27-20/h7-13,29H,1-6H3,(H2,25,27)(H,28,30).
What are the key properties of (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium?
(6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium has a molecular weight of 467.60 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[2-[6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonyl]hydrazinyl]-oxidosulfanium is sourced from PubChem (CID 175070572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).