1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

C19H20ClN3O2 — CID 2998654

IUPAC1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H20ClN3O2/c20-17-7-2-1-5-14(17)12-23-13-15(11-18(23)24)19(25)22-10-8-16-6-3-4-9-21-16/h1-7,9,15H,8,10-13H2,(H,22,25)
InChIKeyPBDSIKBTZTUQJB-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.44
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 2998654) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID2998654
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H20ClN3O2/c20-17-7-2-1-5-14(17)12-23-13-15(11-18(23)24)19(25)22-10-8-16-6-3-4-9-21-16/h1-7,9,15H,8,10-13H2,(H,22,25)
InChIKeyPBDSIKBTZTUQJB-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 2998654) is 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is PBDSIKBTZTUQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-17-7-2-1-5-14(17)12-23-13-15(11-18(23)24)19(25)22-10-8-16-6-3-4-9-21-16/h1-7,9,15H,8,10-13H2,(H,22,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2998654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).