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

C22H29N5O3 — CID 95812334

IUPACN-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1
InChIInChI=1S/C22H29N5O3/c1-25(2)20-11-18(17-10-21(28)26(3)12-17)23-19(24-20)13-27(4)22(29)16-8-6-15(7-9-16)14-30-5/h6-9,11,17H,10,12-14H2,1-5H3/t17-/m0/s1
InChIKeyZVZUMDMDSDLSOH-KRWDZBQOSA-N
MW411.51 g/mol
LogP1.91
Rot. Bonds7

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

N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide (PubChem CID 95812334) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
PubChem CID95812334
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1
InChIInChI=1S/C22H29N5O3/c1-25(2)20-11-18(17-10-21(28)26(3)12-17)23-19(24-20)13-27(4)22(29)16-8-6-15(7-9-16)14-30-5/h6-9,11,17H,10,12-14H2,1-5H3/t17-/m0/s1
InChIKeyZVZUMDMDSDLSOH-KRWDZBQOSA-N
XLogP1.91
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 95830244
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-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
CID 110250823
(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 124975948
N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 110250852
N-[[4-(dimethylamino)-6-[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 92621038
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-hydroxy-N-methylacetamide
CID 110250786
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide
CID 92619250
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 92621066
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbutanamide
CID 110088818
N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 124977047
N-[[4-(dimethylamino)-6-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]-N-methylquinoline-5-carboxamide
CID 110250855

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide (CID 95812334) is N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide is COCc1ccc(C(=O)N(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The InChIKey is ZVZUMDMDSDLSOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-25(2)20-11-18(17-10-21(28)26(3)12-17)23-19(24-20)13-27(4)22(29)16-8-6-15(7-9-16)14-30-5/h6-9,11,17H,10,12-14H2,1-5H3/t17-/m0/s1.
What are the key properties of N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide has a molecular weight of 411.51 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 95812334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).