2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide

C23H22N4O2 — CID 131907566

IUPAC2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(N3C(=O)CCC3C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O2/c1-15-11-12-21(28)27(15)19-10-6-9-18(13-19)26-23(29)20-14-24-16(2)25-22(20)17-7-4-3-5-8-17/h3-10,13-15H,11-12H2,1-2H3,(H,26,29)
InChIKeyWTIHJVIOIJSVKZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.22
Rot. Bonds4

About 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide

2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 131907566) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID131907566
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(N3C(=O)CCC3C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O2/c1-15-11-12-21(28)27(15)19-10-6-9-18(13-19)26-23(29)20-14-24-16(2)25-22(20)17-7-4-3-5-8-17/h3-10,13-15H,11-12H2,1-2H3,(H,26,29)
InChIKeyWTIHJVIOIJSVKZ-UHFFFAOYSA-N
XLogP4.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide (CID 131907566) is 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(N3C(=O)CCC3C)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is WTIHJVIOIJSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-11-12-21(28)27(15)19-10-6-9-18(13-19)26-23(29)20-14-24-16(2)25-22(20)17-7-4-3-5-8-17/h3-10,13-15H,11-12H2,1-2H3,(H,26,29).
What are the key properties of 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide?
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 131907566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).