4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide

C21H25N5O2 — CID 126432710

IUPAC4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESNc1cc(-c2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)ncn1
InChIInChI=1S/C21H25N5O2/c22-19-10-18(24-13-25-19)15-5-7-16(8-6-15)21(28)23-11-14-9-20(27)26(12-14)17-3-1-2-4-17/h5-8,10,13-14,17H,1-4,9,11-12H2,(H,23,28)(H2,22,24,25)/t14-/m0/s1
InChIKeyQAOUCOBCKDPLRS-AWEZNQCLSA-N
MW379.46 g/mol
LogP2.25
Rot. Bonds5

About 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide

4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 126432710) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID126432710
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESNc1cc(-c2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)ncn1
InChIInChI=1S/C21H25N5O2/c22-19-10-18(24-13-25-19)15-5-7-16(8-6-15)21(28)23-11-14-9-20(27)26(12-14)17-3-1-2-4-17/h5-8,10,13-14,17H,1-4,9,11-12H2,(H,23,28)(H2,22,24,25)/t14-/m0/s1
InChIKeyQAOUCOBCKDPLRS-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

Analyze 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126427045
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
CID 126435573
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
CID 126423943
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
4-cyclopentyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 126771526
4-(6-aminopyrimidin-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
CID 121498277
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 126432710) is 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide is Nc1cc(-c2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)ncn1.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is QAOUCOBCKDPLRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-19-10-18(24-13-25-19)15-5-7-16(8-6-15)21(28)23-11-14-9-20(27)26(12-14)17-3-1-2-4-17/h5-8,10,13-14,17H,1-4,9,11-12H2,(H,23,28)(H2,22,24,25)/t14-/m0/s1.
What are the key properties of 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide?
4-(6-aminopyrimidin-4-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 4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 126432710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).