3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide

C22H29N3O2 — CID 166229588

IUPAC3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCC(C)(CCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C22H29N3O2/c1-3-14-24-16-19(9-10-20(24)26)23-21(27)25-15-13-22(2,17-25)12-11-18-7-5-4-6-8-18/h4-10,16H,3,11-15,17H2,1-2H3,(H,23,27)
InChIKeyWPYHTMSCVCIAFS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds6

About 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide

3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 166229588) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID166229588
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCC(C)(CCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C22H29N3O2/c1-3-14-24-16-19(9-10-20(24)26)23-21(27)25-15-13-22(2,17-25)12-11-18-7-5-4-6-8-18/h4-10,16H,3,11-15,17H2,1-2H3,(H,23,27)
InChIKeyWPYHTMSCVCIAFS-UHFFFAOYSA-N
XLogP4.14
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 166229588) is 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide is CCCn1cc(NC(=O)N2CCC(C)(CCc3ccccc3)C2)ccc1=O.
What is the InChIKey of 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is WPYHTMSCVCIAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-14-24-16-19(9-10-20(24)26)23-21(27)25-15-13-22(2,17-25)12-11-18-7-5-4-6-8-18/h4-10,16H,3,11-15,17H2,1-2H3,(H,23,27).
What are the key properties of 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide?
3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166229588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).