1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C26H42N4O5S — CID 90744209

IUPAC1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)NNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C26H42N4O5S/c1-18(2)36(34,35)29-28-25(33)26(3,4)27-23(31)21-16-20-14-10-5-6-11-15-22(20)30(24(21)32)17-19-12-8-7-9-13-19/h16,18-19,29H,5-15,17H2,1-4H3,(H,27,31)(H,28,33)
InChIKeyFVJGGUCUEKJPSZ-UHFFFAOYSA-N
MW522.71 g/mol
LogP2.95
Rot. Bonds8

About 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 90744209) has the molecular formula C26H42N4O5S and a molecular weight of 522.71 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID90744209
Molecular FormulaC26H42N4O5S
Molecular Weight522.71 g/mol
Exact Mass522.29
IUPAC Name1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)NNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C26H42N4O5S/c1-18(2)36(34,35)29-28-25(33)26(3,4)27-23(31)21-16-20-14-10-5-6-11-15-22(20)30(24(21)32)17-19-12-8-7-9-13-19/h16,18-19,29H,5-15,17H2,1-4H3,(H,27,31)(H,28,33)
InChIKeyFVJGGUCUEKJPSZ-UHFFFAOYSA-N
XLogP2.95
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.71
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 90744209) is 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)S(=O)(=O)NNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is FVJGGUCUEKJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O5S/c1-18(2)36(34,35)29-28-25(33)26(3,4)27-23(31)21-16-20-14-10-5-6-11-15-22(20)30(24(21)32)17-19-12-8-7-9-13-19/h16,18-19,29H,5-15,17H2,1-4H3,(H,27,31)(H,28,33).
What are the key properties of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 522.71 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-propan-2-ylsulfonylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 90744209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).