N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

C24H33N5O3S — CID 20972610

IUPACN-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H33N5O3S/c1-17-8-9-18(2)22(14-17)33(31,32)28-20-15-21(24(30)27-19-6-4-3-5-7-19)23(26-16-20)29-12-10-25-11-13-29/h8-9,14-16,19,25,28H,3-7,10-13H2,1-2H3,(H,27,30)
InChIKeyGUMNPJFIBCTLBN-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.97
Rot. Bonds6

About N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 20972610) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID20972610
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC NameN-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H33N5O3S/c1-17-8-9-18(2)22(14-17)33(31,32)28-20-15-21(24(30)27-19-6-4-3-5-7-19)23(26-16-20)29-12-10-25-11-13-29/h8-9,14-16,19,25,28H,3-7,10-13H2,1-2H3,(H,27,30)
InChIKeyGUMNPJFIBCTLBN-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (CID 20972610) is N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCNCC3)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is GUMNPJFIBCTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-17-8-9-18(2)22(14-17)33(31,32)28-20-15-21(24(30)27-19-6-4-3-5-7-19)23(26-16-20)29-12-10-25-11-13-29/h8-9,14-16,19,25,28H,3-7,10-13H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 20972610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).