N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide

C23H24N6O4S — CID 140894947

IUPACN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCS(=O)(=O)CC2)c2ccc(-c3cccnc3)cc2)nc1
InChIInChI=1S/C23H24N6O4S/c24-27-22(30)19-3-6-20(26-15-19)16-29(23(31)28-10-12-34(32,33)13-11-28)21-7-4-17(5-8-21)18-2-1-9-25-14-18/h1-9,14-15H,10-13,16,24H2,(H,27,30)
InChIKeyXAWFHKHHEHHGGQ-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.60
Rot. Bonds5

About N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide

N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide (PubChem CID 140894947) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
PubChem CID140894947
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCS(=O)(=O)CC2)c2ccc(-c3cccnc3)cc2)nc1
InChIInChI=1S/C23H24N6O4S/c24-27-22(30)19-3-6-20(26-15-19)16-29(23(31)28-10-12-34(32,33)13-11-28)21-7-4-17(5-8-21)18-2-1-9-25-14-18/h1-9,14-15H,10-13,16,24H2,(H,27,30)
InChIKeyXAWFHKHHEHHGGQ-UHFFFAOYSA-N
XLogP1.60
TPSA138.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide (CID 140894947) is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide is NNC(=O)c1ccc(CN(C(=O)N2CCS(=O)(=O)CC2)c2ccc(-c3cccnc3)cc2)nc1.
What is the InChIKey of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide?
The InChIKey is XAWFHKHHEHHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c24-27-22(30)19-3-6-20(26-15-19)16-29(23(31)28-10-12-34(32,33)13-11-28)21-7-4-17(5-8-21)18-2-1-9-25-14-18/h1-9,14-15H,10-13,16,24H2,(H,27,30).
What are the key properties of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide?
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 140894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).