2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide

C18H20N4O2 — CID 94821155

IUPAC2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1
InChIInChI=1S/C18H20N4O2/c1-13-19-10-9-15(20-13)18(24)21-16(14-6-3-2-4-7-14)12-22-11-5-8-17(22)23/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyWEVQFYYCGZTSGY-MRXNPFEDSA-N
MW324.38 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide

2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide (PubChem CID 94821155) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
PubChem CID94821155
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1
InChIInChI=1S/C18H20N4O2/c1-13-19-10-9-15(20-13)18(24)21-16(14-6-3-2-4-7-14)12-22-11-5-8-17(22)23/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyWEVQFYYCGZTSGY-MRXNPFEDSA-N
XLogP1.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
(4S)-4-[(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 99644169
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119719349
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 155960651
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 94101832
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide (CID 94821155) is 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide?
The InChIKey is WEVQFYYCGZTSGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-19-10-9-15(20-13)18(24)21-16(14-6-3-2-4-7-14)12-22-11-5-8-17(22)23/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide?
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 94821155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).