benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate

C20H22N4O4 — CID 122246102

IUPACbenzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccnc(N2CCCC2=O)c1
InChIInChI=1S/C20H22N4O4/c25-18(13-23-20(27)28-14-15-5-2-1-3-6-15)22-12-16-8-9-21-17(11-16)24-10-4-7-19(24)26/h1-3,5-6,8-9,11H,4,7,10,12-14H2,(H,22,25)(H,23,27)
InChIKeyUKENXDLPPCPBMB-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.75
Rot. Bonds7

About benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate

benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate (PubChem CID 122246102) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
PubChem CID122246102
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namebenzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccnc(N2CCCC2=O)c1
InChIInChI=1S/C20H22N4O4/c25-18(13-23-20(27)28-14-15-5-2-1-3-6-15)22-12-16-8-9-21-17(11-16)24-10-4-7-19(24)26/h1-3,5-6,8-9,11H,4,7,10,12-14H2,(H,22,25)(H,23,27)
InChIKeyUKENXDLPPCPBMB-UHFFFAOYSA-N
XLogP1.75
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 121165477
3-(2-methylphenyl)-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]propanamide
CID 122246073
2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246057
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122246103
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
3-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246109
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122246123
4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 122246051
benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate
CID 122317890
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate (CID 122246102) is benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCc1ccnc(N2CCCC2=O)c1.
What is the InChIKey of benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate?
The InChIKey is UKENXDLPPCPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(13-23-20(27)28-14-15-5-2-1-3-6-15)22-12-16-8-9-21-17(11-16)24-10-4-7-19(24)26/h1-3,5-6,8-9,11H,4,7,10,12-14H2,(H,22,25)(H,23,27).
What are the key properties of benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate?
benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate is sourced from PubChem (CID 122246102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).