N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide

C24H26N6O2 — CID 110244103

IUPACN-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCNc1cc(C2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)c2ccccn2)n1
InChIInChI=1S/C24H26N6O2/c1-25-21-13-20(18-12-23(31)30(15-18)14-17-8-4-3-5-9-17)27-22(28-21)16-29(2)24(32)19-10-6-7-11-26-19/h3-11,13,18H,12,14-16H2,1-2H3,(H,25,27,28)
InChIKeyCLUBXNCLMMVLNF-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.70
Rot. Bonds7

About N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide

N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 110244103) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID110244103
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCNc1cc(C2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)c2ccccn2)n1
InChIInChI=1S/C24H26N6O2/c1-25-21-13-20(18-12-23(31)30(15-18)14-17-8-4-3-5-9-17)27-22(28-21)16-29(2)24(32)19-10-6-7-11-26-19/h3-11,13,18H,12,14-16H2,1-2H3,(H,25,27,28)
InChIKeyCLUBXNCLMMVLNF-UHFFFAOYSA-N
XLogP2.70
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide 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

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-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylethanesulfonamide
CID 95851512
N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 124977047
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-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 110088837
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide (CID 110244103) is N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide is CNc1cc(C2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)c2ccccn2)n1.
What is the InChIKey of N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is CLUBXNCLMMVLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-25-21-13-20(18-12-23(31)30(15-18)14-17-8-4-3-5-9-17)27-22(28-21)16-29(2)24(32)19-10-6-7-11-26-19/h3-11,13,18H,12,14-16H2,1-2H3,(H,25,27,28).
What are the key properties of N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide?
N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 110244103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).