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

C24H38N4O5S — CID 59718841

IUPAC1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NNS(C)(=O)=O
InChIInChI=1S/C24H38N4O5S/c1-24(2,23(31)26-27-34(3,32)33)25-21(29)19-15-18-13-9-4-5-10-14-20(18)28(22(19)30)16-17-11-7-6-8-12-17/h15,17,27H,4-14,16H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyQQNQWKFMZOLZQO-UHFFFAOYSA-N
MW494.66 g/mol
LogP2.18
Rot. Bonds7

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

1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718841) has the molecular formula C24H38N4O5S and a molecular weight of 494.66 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718841
Molecular FormulaC24H38N4O5S
Molecular Weight494.66 g/mol
Exact Mass494.26
IUPAC Name1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NNS(C)(=O)=O
InChIInChI=1S/C24H38N4O5S/c1-24(2,23(31)26-27-34(3,32)33)25-21(29)19-15-18-13-9-4-5-10-14-20(18)28(22(19)30)16-17-11-7-6-8-12-17/h15,17,27H,4-14,16H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyQQNQWKFMZOLZQO-UHFFFAOYSA-N
XLogP2.18
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718848
CB 1/2 dual agonists, Shionogi
CID 70681279
1-(cyclohexylmethyl)-N-[2-methyl-1-[4-(methylsulfonylcarbamoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70689667
1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718891
1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-sulfanylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 87851773
1-(cyclohexylmethyl)-N-[2-methyl-1-[(1-methylsulfonylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 90739386
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
1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 90747017
1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(4-propan-2-ylsulfonylpiperazin-1-yl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 90923483
N-[1-[amino(methylsulfonyl)amino]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 91093502
1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 91271084
1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 91414434

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-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-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718841) is 1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-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-(2-methylsulfonylhydrazinyl)-1-oxopropan-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-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NNS(C)(=O)=O.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is QQNQWKFMZOLZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O5S/c1-24(2,23(31)26-27-34(3,32)33)25-21(29)19-15-18-13-9-4-5-10-14-20(18)28(22(19)30)16-17-11-7-6-8-12-17/h15,17,27H,4-14,16H2,1-3H3,(H,25,29)(H,26,31).
What are the key properties of 1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 2.18, 7 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-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).