(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide

C17H17ClN4O2 — CID 7438824

IUPAC(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-11(2)20-17(19-10)21-16(24)12-8-15(23)22(9-12)14-5-3-13(18)4-6-14/h3-7,12H,8-9H2,1-2H3,(H,19,20,21,24)/t12-/m1/s1
InChIKeyYNHFBWWLMKSDTN-GFCCVEGCSA-N
MW344.80 g/mol
LogP2.74
Rot. Bonds3

About (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7438824) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7438824
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-11(2)20-17(19-10)21-16(24)12-8-15(23)22(9-12)14-5-3-13(18)4-6-14/h3-7,12H,8-9H2,1-2H3,(H,19,20,21,24)/t12-/m1/s1
InChIKeyYNHFBWWLMKSDTN-GFCCVEGCSA-N
XLogP2.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800132
(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3R)-1-(4-chlorophenyl)-N-(2-methylquinolin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51868467
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 7438824) is (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YNHFBWWLMKSDTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-7-11(2)20-17(19-10)21-16(24)12-8-15(23)22(9-12)14-5-3-13(18)4-6-14/h3-7,12H,8-9H2,1-2H3,(H,19,20,21,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7438824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).