N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide

C18H20N4O2 — CID 166259536

IUPACN-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide
SMILESCN(CCN1CCCC1=O)C(=O)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O2/c1-21(12-13-22-11-5-8-16(22)23)18(24)15-9-10-19-17(20-15)14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3
InChIKeyRAXSDGIVTAAUIR-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.84
Rot. Bonds5

About N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide

N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 166259536) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID166259536
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide
SMILESCN(CCN1CCCC1=O)C(=O)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O2/c1-21(12-13-22-11-5-8-16(22)23)18(24)15-9-10-19-17(20-15)14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3
InChIKeyRAXSDGIVTAAUIR-UHFFFAOYSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyridine-4-carboxamide
CID 166235111
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70722653
4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 91842161
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 75475746
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
S-[2-(2-oxopyrrolidin-1-yl)ethyl] benzenecarbothioate
CID 22436531
5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 166292584
N,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 130233945
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide (CID 166259536) is N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide is CN(CCN1CCCC1=O)C(=O)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is RAXSDGIVTAAUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(12-13-22-11-5-8-16(22)23)18(24)15-9-10-19-17(20-15)14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3.
What are the key properties of N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide?
N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 166259536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).