N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

C22H27N3O2 — CID 113185294

IUPACN-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-24(15-11-19-9-12-23-13-10-19)22(27)20-16-21(26)25(17-20)14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20H,5,8,11,14-17H2,1H3
InChIKeyCJHOMGNIFMKUKB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.56
Rot. Bonds8

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

N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 113185294) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID113185294
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-24(15-11-19-9-12-23-13-10-19)22(27)20-16-21(26)25(17-20)14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20H,5,8,11,14-17H2,1H3
InChIKeyCJHOMGNIFMKUKB-UHFFFAOYSA-N
XLogP2.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111543092
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113189751
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186754
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97186593
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 25446525

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 113185294) is N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is CN(CCc1ccncc1)C(=O)C1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CJHOMGNIFMKUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(15-11-19-9-12-23-13-10-19)22(27)20-16-21(26)25(17-20)14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20H,5,8,11,14-17H2,1H3.
What are the key properties of N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113185294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).