3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide

C21H25N5O2 — CID 126427045

IUPAC3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESNc1cnc(-c2cccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)c2)cn1
InChIInChI=1S/C21H25N5O2/c22-19-12-23-18(11-24-19)15-4-3-5-16(9-15)21(28)25-10-14-8-20(27)26(13-14)17-6-1-2-7-17/h3-5,9,11-12,14,17H,1-2,6-8,10,13H2,(H2,22,24)(H,25,28)/t14-/m0/s1
InChIKeyASHGVLURCSNIIZ-AWEZNQCLSA-N
MW379.46 g/mol
LogP2.25
Rot. Bonds5

About 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide

3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 126427045) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID126427045
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESNc1cnc(-c2cccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)c2)cn1
InChIInChI=1S/C21H25N5O2/c22-19-12-23-18(11-24-19)15-4-3-5-16(9-15)21(28)25-10-14-8-20(27)26(13-14)17-6-1-2-7-17/h3-5,9,11-12,14,17H,1-2,6-8,10,13H2,(H2,22,24)(H,25,28)/t14-/m0/s1
InChIKeyASHGVLURCSNIIZ-AWEZNQCLSA-N
XLogP2.25
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
CID 126435573
4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126432710
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 91342465
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
CID 125448469
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95712406
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 172880485

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 126427045) is 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide is Nc1cnc(-c2cccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)c2)cn1.
What is the InChIKey of 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is ASHGVLURCSNIIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-19-12-23-18(11-24-19)15-4-3-5-16(9-15)21(28)25-10-14-8-20(27)26(13-14)17-6-1-2-7-17/h3-5,9,11-12,14,17H,1-2,6-8,10,13H2,(H2,22,24)(H,25,28)/t14-/m0/s1.
What are the key properties of 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 126427045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).