N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide

C19H31N5O3S — CID 53108244

IUPACN-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H31N5O3S/c1-2-28(26,27)23-16-13-17(18(21-14-16)24-11-9-20-10-12-24)19(25)22-15-7-5-3-4-6-8-15/h13-15,20,23H,2-12H2,1H3,(H,22,25)
InChIKeyJRJHJSZJKWGXDP-UHFFFAOYSA-N
MW409.56 g/mol
LogP1.71
Rot. Bonds6

About N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide

N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108244) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108244
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC NameN-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H31N5O3S/c1-2-28(26,27)23-16-13-17(18(21-14-16)24-11-9-20-10-12-24)19(25)22-15-7-5-3-4-6-8-15/h13-15,20,23H,2-12H2,1H3,(H,22,25)
InChIKeyJRJHJSZJKWGXDP-UHFFFAOYSA-N
XLogP1.71
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108244) is N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide is CCS(=O)(=O)Nc1cnc(N2CCNCC2)c(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is JRJHJSZJKWGXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c1-2-28(26,27)23-16-13-17(18(21-14-16)24-11-9-20-10-12-24)19(25)22-15-7-5-3-4-6-8-15/h13-15,20,23H,2-12H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide?
N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).