5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H21N3O2 — CID 4047579

IUPAC5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c23-18-11-17(19(24)21-13-16-7-4-9-20-12-16)14-22(18)10-8-15-5-2-1-3-6-15/h1-7,9,12,17H,8,10-11,13-14H2,(H,21,24)
InChIKeyNNLSPXMUSASLAZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.79
Rot. Bonds6

About 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 4047579) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID4047579
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c23-18-11-17(19(24)21-13-16-7-4-9-20-12-16)14-22(18)10-8-15-5-2-1-3-6-15/h1-7,9,12,17H,8,10-11,13-14H2,(H,21,24)
InChIKeyNNLSPXMUSASLAZ-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 4047579) is 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccnc1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NNLSPXMUSASLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18-11-17(19(24)21-13-16-7-4-9-20-12-16)14-22(18)10-8-15-5-2-1-3-6-15/h1-7,9,12,17H,8,10-11,13-14H2,(H,21,24).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4047579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).