N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C22H27N3O2 — CID 113186754

IUPACN-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)N(C)CCc3ccncc3)CC2=O)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-11-16(2)21(17(3)12-15)25-14-19(13-20(25)26)22(27)24(4)10-7-18-5-8-23-9-6-18/h5-6,8-9,11-12,19H,7,10,13-14H2,1-4H3
InChIKeyWHXNQHMDIXTVIK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds5

About N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186754) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186754
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)N(C)CCc3ccncc3)CC2=O)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-11-16(2)21(17(3)12-15)25-14-19(13-20(25)26)22(27)24(4)10-7-18-5-8-23-9-6-18/h5-6,8-9,11-12,19H,7,10,13-14H2,1-4H3
InChIKeyWHXNQHMDIXTVIK-UHFFFAOYSA-N
XLogP3.06
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113189751
N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113187919
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
1-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55575180

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 113186754) is N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(N2CC(C(=O)N(C)CCc3ccncc3)CC2=O)c(C)c1.
What is the InChIKey of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WHXNQHMDIXTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-11-16(2)21(17(3)12-15)25-14-19(13-20(25)26)22(27)24(4)10-7-18-5-8-23-9-6-18/h5-6,8-9,11-12,19H,7,10,13-14H2,1-4H3.
What are the key properties of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).