N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

C24H33N5O3S — CID 53108259

IUPACN-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C24H33N5O3S/c1-18-8-10-21(11-9-18)33(31,32)28-20-16-22(23(26-17-20)29-14-12-25-13-15-29)24(30)27-19-6-4-2-3-5-7-19/h8-11,16-17,19,25,28H,2-7,12-15H2,1H3,(H,27,30)
InChIKeyAAVNJOINCFCNLD-UHFFFAOYSA-N
MW471.63 g/mol
LogP3.05
Rot. Bonds6

About N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108259) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108259
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC NameN-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C24H33N5O3S/c1-18-8-10-21(11-9-18)33(31,32)28-20-16-22(23(26-17-20)29-14-12-25-13-15-29)24(30)27-19-6-4-2-3-5-7-19/h8-11,16-17,19,25,28H,2-7,12-15H2,1H3,(H,27,30)
InChIKeyAAVNJOINCFCNLD-UHFFFAOYSA-N
XLogP3.05
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 20972610
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108226
N-cycloheptyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062665
N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108244
N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108396
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108262
2-(azocan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054691
4-tert-butyl-N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 53010578
N-[(2R)-butan-2-yl]-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 95086227
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108341
N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 53108329
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108259) is N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCCC3)c2)cc1.
What is the InChIKey of N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is AAVNJOINCFCNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-18-8-10-21(11-9-18)33(31,32)28-20-16-22(23(26-17-20)29-14-12-25-13-15-29)24(30)27-19-6-4-2-3-5-7-19/h8-11,16-17,19,25,28H,2-7,12-15H2,1H3,(H,27,30).
What are the key properties of N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).