N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide

C25H25ClN4O2 — CID 136735112

IUPACN-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide
SMILESCCn1cc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H25ClN4O2/c1-3-30-15-18(21-6-4-5-7-23(21)30)12-24(31)29-22(17-8-10-19(26)11-9-17)13-20-14-25(32)28-16(2)27-20/h4-11,14-15,22H,3,12-13H2,1-2H3,(H,29,31)(H,27,28,32)/t22-/m1/s1
InChIKeyRYSVXSWQKPGPEE-JOCHJYFZSA-N
MW448.95 g/mol
LogP4.35
Rot. Bonds7

About N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide

N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide (PubChem CID 136735112) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide
PubChem CID136735112
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide
SMILESCCn1cc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H25ClN4O2/c1-3-30-15-18(21-6-4-5-7-23(21)30)12-24(31)29-22(17-8-10-19(26)11-9-17)13-20-14-25(32)28-16(2)27-20/h4-11,14-15,22H,3,12-13H2,1-2H3,(H,29,31)(H,27,28,32)/t22-/m1/s1
InChIKeyRYSVXSWQKPGPEE-JOCHJYFZSA-N
XLogP4.35
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide (CID 136735112) is N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide is CCn1cc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide?
The InChIKey is RYSVXSWQKPGPEE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-3-30-15-18(21-6-4-5-7-23(21)30)12-24(31)29-22(17-8-10-19(26)11-9-17)13-20-14-25(32)28-16(2)27-20/h4-11,14-15,22H,3,12-13H2,1-2H3,(H,29,31)(H,27,28,32)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide?
N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide has a molecular weight of 448.95 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide is sourced from PubChem (CID 136735112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).