(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

C23H22N4O2 — CID 42461345

IUPAC(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3cnccn3)c2)c1
InChIInChI=1S/C23H22N4O2/c1-16-5-2-6-17(13-16)18-7-3-8-19(14-18)26-22(28)21-9-4-12-27(21)23(29)20-15-24-10-11-25-20/h2-3,5-8,10-11,13-15,21H,4,9,12H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyHBXVZUSSNXCYGA-OAQYLSRUSA-N
MW386.46 g/mol
LogP3.70
Rot. Bonds4

About (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 42461345) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID42461345
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3cnccn3)c2)c1
InChIInChI=1S/C23H22N4O2/c1-16-5-2-6-17(13-16)18-7-3-8-19(14-18)26-22(28)21-9-4-12-27(21)23(29)20-15-24-10-11-25-20/h2-3,5-8,10-11,13-15,21H,4,9,12H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyHBXVZUSSNXCYGA-OAQYLSRUSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95116507
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42515252
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785188
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354
(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
CID 42393535
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide (CID 42461345) is (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide is Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3cnccn3)c2)c1.
What is the InChIKey of (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HBXVZUSSNXCYGA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-5-2-6-17(13-16)18-7-3-8-19(14-18)26-22(28)21-9-4-12-27(21)23(29)20-15-24-10-11-25-20/h2-3,5-8,10-11,13-15,21H,4,9,12H2,1H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42461345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).