2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide

C24H24N4O — CID 10156869

IUPAC2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide
SMILESCC(C)N(Cc1cncnc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H24N4O/c1-17(2)28(15-18-13-25-16-26-14-18)23(29)12-21-20-10-6-7-11-22(20)27-24(21)19-8-4-3-5-9-19/h3-11,13-14,16-17,27H,12,15H2,1-2H3
InChIKeyMXMPQXZKHQAUMO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.60
Rot. Bonds6

About 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide

2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide (PubChem CID 10156869) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide
PubChem CID10156869
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide
SMILESCC(C)N(Cc1cncnc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H24N4O/c1-17(2)28(15-18-13-25-16-26-14-18)23(29)12-21-20-10-6-7-11-22(20)27-24(21)19-8-4-3-5-9-19/h3-11,13-14,16-17,27H,12,15H2,1-2H3
InChIKeyMXMPQXZKHQAUMO-UHFFFAOYSA-N
XLogP4.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide (CID 10156869) is 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide is CC(C)N(Cc1cncnc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide?
The InChIKey is MXMPQXZKHQAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17(2)28(15-18-13-25-16-26-14-18)23(29)12-21-20-10-6-7-11-22(20)27-24(21)19-8-4-3-5-9-19/h3-11,13-14,16-17,27H,12,15H2,1-2H3.
What are the key properties of 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide?
2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-indol-3-yl)-N-propan-2-yl-N-(pyrimidin-5-ylmethyl)acetamide is sourced from PubChem (CID 10156869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).