N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C19H21ClN4O3S — CID 45481640

IUPACN-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21
InChIInChI=1S/C19H21ClN4O3S/c1-28(26,27)24-13-19(15-4-2-3-5-16(15)24)8-10-23(11-9-19)18(25)22-17-7-6-14(20)12-21-17/h2-7,12H,8-11,13H2,1H3,(H,21,22,25)
InChIKeyZIQZGXAUADHSCG-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.08
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 45481640) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID45481640
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC NameN-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21
InChIInChI=1S/C19H21ClN4O3S/c1-28(26,27)24-13-19(15-4-2-3-5-16(15)24)8-10-23(11-9-19)18(25)22-17-7-6-14(20)12-21-17/h2-7,12H,8-11,13H2,1H3,(H,21,22,25)
InChIKeyZIQZGXAUADHSCG-UHFFFAOYSA-N
XLogP3.08
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 45481640) is N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is ZIQZGXAUADHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-28(26,27)24-13-19(15-4-2-3-5-16(15)24)8-10-23(11-9-19)18(25)22-17-7-6-14(20)12-21-17/h2-7,12H,8-11,13H2,1H3,(H,21,22,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 45481640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).