N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide

C19H22ClN3O3S — CID 167843424

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccnc1C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)17-8-5-9-21-18(17)19(24)22-13-16(23-10-2-3-11-23)14-6-4-7-15(20)12-14/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyQRPBGYHWCWMWIX-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide (PubChem CID 167843424) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide
PubChem CID167843424
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccnc1C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)17-8-5-9-21-18(17)19(24)22-13-16(23-10-2-3-11-23)14-6-4-7-15(20)12-14/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyQRPBGYHWCWMWIX-UHFFFAOYSA-N
XLogP2.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluoropyridine-2-carboxamide
CID 167930365
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 112821597
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(ethylsulfamoyl)benzamide
CID 55967220
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55658973
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
CID 60553433
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 60567599

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide (CID 167843424) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide is CS(=O)(=O)c1cccnc1C(=O)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide?
The InChIKey is QRPBGYHWCWMWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-27(25,26)17-8-5-9-21-18(17)19(24)22-13-16(23-10-2-3-11-23)14-6-4-7-15(20)12-14/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 167843424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).