N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide

C20H25N5O3 — CID 92566823

IUPACN-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cnc(N(C)C)nc1-c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C20H25N5O3/c1-24(2)20-22-10-13(9-21-18(26)12-27-4)19(23-20)16-11-25(3)17-7-6-14(28-5)8-15(16)17/h6-8,10-11H,9,12H2,1-5H3,(H,21,26)
InChIKeyGKRKRXULTQHOEG-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds7

About N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide

N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide (PubChem CID 92566823) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide
PubChem CID92566823
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cnc(N(C)C)nc1-c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C20H25N5O3/c1-24(2)20-22-10-13(9-21-18(26)12-27-4)19(23-20)16-11-25(3)17-7-6-14(28-5)8-15(16)17/h6-8,10-11H,9,12H2,1-5H3,(H,21,26)
InChIKeyGKRKRXULTQHOEG-UHFFFAOYSA-N
XLogP1.97
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
CID 92565431
(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 92565409
N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 110223892
N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 110223893
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 126564807
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-methoxy-1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166477726
5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108277
6-(5-bromo-1-methylindol-3-yl)-5-(5-methoxy-1-methylindol-3-yl)-1,2,4-triazin-3-amine
CID 169448308
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide (CID 92566823) is N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cnc(N(C)C)nc1-c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide?
The InChIKey is GKRKRXULTQHOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(2)20-22-10-13(9-21-18(26)12-27-4)19(23-20)16-11-25(3)17-7-6-14(28-5)8-15(16)17/h6-8,10-11H,9,12H2,1-5H3,(H,21,26).
What are the key properties of N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide?
N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide has a molecular weight of 383.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 92566823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).