N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide

C25H33N5O2 — CID 124977047

IUPACN-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
SMILESCN(Cc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc(N(C)C)n1)C(=O)C1CCCC1
InChIInChI=1S/C25H33N5O2/c1-28(2)23-14-21(20-13-24(31)30(16-20)15-18-9-5-4-6-10-18)26-22(27-23)17-29(3)25(32)19-11-7-8-12-19/h4-6,9-10,14,19-20H,7-8,11-13,15-17H2,1-3H3/t20-/m0/s1
InChIKeyLJQSWWBWZGCPDD-FQEVSTJZSA-N
MW435.57 g/mol
LogP3.21
Rot. Bonds7

About N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide

N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide (PubChem CID 124977047) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
PubChem CID124977047
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
SMILESCN(Cc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc(N(C)C)n1)C(=O)C1CCCC1
InChIInChI=1S/C25H33N5O2/c1-28(2)23-14-21(20-13-24(31)30(16-20)15-18-9-5-4-6-10-18)26-22(27-23)17-29(3)25(32)19-11-7-8-12-19/h4-6,9-10,14,19-20H,7-8,11-13,15-17H2,1-3H3/t20-/m0/s1
InChIKeyLJQSWWBWZGCPDD-FQEVSTJZSA-N
XLogP3.21
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 110250852
1-benzyl-N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 95812332
N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylacetamide
CID 95851533
N-[[4-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N,2,2-trimethylpropanamide
CID 95851524
N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N-methylacetamide
CID 110244104
N-[[4-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N,3,3-trimethylbutanamide
CID 92621007
N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 110244103
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
CID 110250823
N-[[4-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylethanesulfonamide
CID 95851512
N-[[4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylcyclohexanecarboxamide
CID 110088824

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide (CID 124977047) is N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide is CN(Cc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc(N(C)C)n1)C(=O)C1CCCC1.
What is the InChIKey of N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The InChIKey is LJQSWWBWZGCPDD-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-28(2)23-14-21(20-13-24(31)30(16-20)15-18-9-5-4-6-10-18)26-22(27-23)17-29(3)25(32)19-11-7-8-12-19/h4-6,9-10,14,19-20H,7-8,11-13,15-17H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 124977047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).