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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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131889333
6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
CID 131889668
3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide
CID 169413011
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 70687226
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
CID 164641938
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304

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).