N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide

C18H20N4O3 — CID 122304294

IUPACN-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCOc1ncc(NC(=O)Cc2c[nH]c3ccccc23)c(OCC)n1
InChIInChI=1S/C18H20N4O3/c1-3-24-17-15(11-20-18(22-17)25-4-2)21-16(23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyCOYGACHGVBPCTN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.94
Rot. Bonds7

About N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide

N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 122304294) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID122304294
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCOc1ncc(NC(=O)Cc2c[nH]c3ccccc23)c(OCC)n1
InChIInChI=1S/C18H20N4O3/c1-3-24-17-15(11-20-18(22-17)25-4-2)21-16(23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyCOYGACHGVBPCTN-UHFFFAOYSA-N
XLogP2.94
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304411
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
N-[6-(2-ethoxyanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113019606
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
N-(2,6-difluoro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 103097670
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide (CID 122304294) is N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide is CCOc1ncc(NC(=O)Cc2c[nH]c3ccccc23)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is COYGACHGVBPCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-24-17-15(11-20-18(22-17)25-4-2)21-16(23)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide?
N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 122304294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).