N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide

C21H26N4O3 — CID 125448469

IUPACN-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NC[C@@H]3CC(=O)N(CCOC)C3)c2)cn1
InChIInChI=1S/C21H26N4O3/c1-22-19-7-6-18(13-23-19)16-4-3-5-17(11-16)21(27)24-12-15-10-20(26)25(14-15)8-9-28-2/h3-7,11,13,15H,8-10,12,14H2,1-2H3,(H,22,23)(H,24,27)/t15-/m0/s1
InChIKeyJHGYHLDRLZBSJF-HNNXBMFYSA-N
MW382.46 g/mol
LogP2.02
Rot. Bonds8

About N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide

N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide (PubChem CID 125448469) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
PubChem CID125448469
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NC[C@@H]3CC(=O)N(CCOC)C3)c2)cn1
InChIInChI=1S/C21H26N4O3/c1-22-19-7-6-18(13-23-19)16-4-3-5-17(11-16)21(27)24-12-15-10-20(26)25(14-15)8-9-28-2/h3-7,11,13,15H,8-10,12,14H2,1-2H3,(H,22,23)(H,24,27)/t15-/m0/s1
InChIKeyJHGYHLDRLZBSJF-HNNXBMFYSA-N
XLogP2.02
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 124842945
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 125177385
N-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 118788931
3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 125169497
methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126449126
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 99927250
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110420802
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 91828677
3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126427045

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide (CID 125448469) is N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide is CNc1ccc(-c2cccc(C(=O)NC[C@@H]3CC(=O)N(CCOC)C3)c2)cn1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide?
The InChIKey is JHGYHLDRLZBSJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-19-7-6-18(13-23-19)16-4-3-5-17(11-16)21(27)24-12-15-10-20(26)25(14-15)8-9-28-2/h3-7,11,13,15H,8-10,12,14H2,1-2H3,(H,22,23)(H,24,27)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide?
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 125448469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).