(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C21H26N4O2 — CID 52514055

IUPAC(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C21H26N4O2/c1-2-24(16-17-7-4-3-5-8-17)20(26)15-23-21(27)25-14-6-9-19(25)18-10-12-22-13-11-18/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeySCFWFPPMNBFTAO-LJQANCHMSA-N
MW366.47 g/mol
LogP2.98
Rot. Bonds6

About (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 52514055) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID52514055
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C21H26N4O2/c1-2-24(16-17-7-4-3-5-8-17)20(26)15-23-21(27)25-14-6-9-19(25)18-10-12-22-13-11-18/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeySCFWFPPMNBFTAO-LJQANCHMSA-N
XLogP2.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 52514055) is (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@@H]1c1ccncc1.
What is the InChIKey of (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is SCFWFPPMNBFTAO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-24(16-17-7-4-3-5-8-17)20(26)15-23-21(27)25-14-6-9-19(25)18-10-12-22-13-11-18/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 52514055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).