N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

C22H29N5O4S — CID 53108226

IUPACN-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H29N5O4S/c1-31-18-6-8-19(9-7-18)32(29,30)26-17-14-20(22(28)25-16-4-2-3-5-16)21(24-15-17)27-12-10-23-11-13-27/h6-9,14-16,23,26H,2-5,10-13H2,1H3,(H,25,28)
InChIKeyMSKCMNKBNYQCLP-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.97
Rot. Bonds7

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

N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108226) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108226
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC NameN-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H29N5O4S/c1-31-18-6-8-19(9-7-18)32(29,30)26-17-14-20(22(28)25-16-4-2-3-5-16)21(24-15-17)27-12-10-23-11-13-27/h6-9,14-16,23,26H,2-5,10-13H2,1H3,(H,25,28)
InChIKeyMSKCMNKBNYQCLP-UHFFFAOYSA-N
XLogP1.97
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108396
N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108259
N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 20972610
N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108244
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108262
N-cycloheptyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062665
N-butan-2-yl-5-[(4-chlorophenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010553
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-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108226) is N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is COc1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is MSKCMNKBNYQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-31-18-6-8-19(9-7-18)32(29,30)26-17-14-20(22(28)25-16-4-2-3-5-16)21(24-15-17)27-12-10-23-11-13-27/h6-9,14-16,23,26H,2-5,10-13H2,1H3,(H,25,28).
What are the key properties of N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).